Sugi Predict

Sugi Predict / Compounds / SCHEMBL13228708

SCHEMBL13228708

SCHEMBL13228708

C=Cc1cc(Cl)cc([N+](=O)[O-])c1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.46
▸ TDP1 Q9NUW8 1/20 0.46
▸ TSHR P16473 2/20 0.41
▸ CYP19A1 P11511 2/20 0.40
▸ HSD17B10 Q99714 1/20 0.38
▸ GPR35 Q9HC97 1/20 0.38
▸ NFE2L2 Q16236 1/20 0.37
▸ FBP1 P09467 3/20 0.37
▸ VCP P55072 1/20 0.36
▸ MAPT P10636 2/20 0.35
▸ TP53 P04637 1/20 0.35
▸ KMT2A Q03164 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7595668 0.86 CYP19A1 (0.54) ALDH1A1TSHRCYP19A1NFE2L2FBP1
SCHEMBL2537590 0.82 ALDH1A1 (0.47) ALDH1A1TDP1TSHRCYP19A1HSD17B10
SCHEMBL16952819 0.81 ALDH1A1 (0.46) ALDH1A1TDP1TSHRCYP19A1HSD17B10
SCHEMBL204235 0.79 ALDH1A1 (0.61) ALDH1A1TDP1TSHRCYP19A1HSD17B10
SCHEMBL1943699 0.79 CYP19A1 (0.62) ALDH1A1TDP1TSHRCYP19A1HSD17B10
SCHEMBL5882248 0.78 XDH (0.42) ALDH1A1TSHRCYP19A1NFE2L2FBP1
SCHEMBL16959336 0.77 TSHR (0.63) ALDH1A1TDP1TSHRCYP19A1HSD17B10
SCHEMBL16951430 0.77 CYP19A1 (0.40) ALDH1A1TSHRCYP19A1NFE2L2FBP1
SCHEMBL22426071 0.77 AMY1A (0.53) ALDH1A1TDP1TSHRCYP19A1HSD17B10
SCHEMBL16955664 0.77 LMNA (0.42) ALDH1A1TSHRCYP19A1HSD17B10NFE2L2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107001271-B Hydroxyamidine derivative, preparation method and medical application thereof 江苏恒瑞医药股份有限公司 2019-05-10 — — CN disclosed
WO-2017024996-A1 HYDROXY AMIDINE DERIVATIVE, PREPARATION METHOD AND USE IN MEDICINE THEREOF 江苏恒瑞医药股份有限公司 2017-02-16 — — WO disclosed
EP-2900645-A1 3-PHENYLISOXAZOLIN DERIVATIVES WITH HERBICIDAL ACTION Bayer CropScience AG (DE) 2015-08-05 — — EP disclosed
US-8534031-B2 Packaging solutions BAUSCH & LOMB INCORPORATED (US) 2013-09-17 — — US disclosed
US-8534031-B2 Packaging solutions BAUSCH & LOMB INCORPORATED (US) 2013-09-17 — — US disclosed
US-8377126-B2 Renewable polymeric lens coating BAUSCH & LOMB INCORPORATED (US) 2013-02-19 — — US disclosed
US-8377126-B2 Renewable polymeric lens coating BAUSCH & LOMB INCORPORATED (US) 2013-02-19 — — US disclosed
WO-2010077646-A2 METHOD OF APPLYING RENEWABLE POLYMERIC LENS COATING BAUSCH & LOMB INCORPORATED (US) 2010-07-08 — — WO disclosed
WO-2010078150-A1 PACKAGING SOLUTIONS BAUSCH & LOMB INCORPORATED (US) 2010-07-08 — — WO disclosed
WO-2010077709-A2 BIOMEDICAL DEVICES BAUSCH & LOMB INCORPORATED (US) 2010-07-08 — — WO disclosed
US-20100162663-A1 Packaging Solutions ORAPHARMA, INC. 2010-07-01 — — US disclosed
US-20100162663-A1 Packaging Solutions ORAPHARMA, INC. 2010-07-01 — — US disclosed
US-20100168851-A1 Surface Modified Biomedical Devices ISTA PHARMACEUTICALS 2010-07-01 — — US disclosed
US-20100168851-A1 Surface Modified Biomedical Devices ISTA PHARMACEUTICALS 2010-07-01 — — US disclosed
US-20100168855-A1 Method of Applying Renewable Polymeric Lens Coating BAUSCH HEALTH COMPANIES INC. (CA) 2010-07-01 — — US disclosed
US-20100168855-A1 Method of Applying Renewable Polymeric Lens Coating BAUSCH HEALTH COMPANIES INC. (CA) 2010-07-01 — — US disclosed
US-20100168356-A1 Biomedical Devices BAUSCH & LOMB INCORPORATED 2010-07-01 — — US disclosed
US-20100168356-A1 Biomedical Devices BAUSCH & LOMB INCORPORATED 2010-07-01 — — US disclosed