SCHEMBL4667310

SCHEMBL4667310

N#Cc1cc([N+](=O)[O-])ccc1-c1ccc(O)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VCAM1 P19320 2/20 0.54
ALDH1A1 P00352 4/20 0.51
LMNA P02545 3/20 0.51
ESR2 Q92731 1/20 0.50
GAA P10253 3/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
MEN1 O00255 2/20 0.47
MAPT P10636 2/20 0.47
KMT2A Q03164 2/20 0.47
ELANE P08246 1/20 0.47
NPBWR1 P48145 1/20 0.44
CYP19A1 P11511 1/20 0.43
RECQL P46063 1/20 0.43
CA12 O43570 1/20 0.43
CA9 Q16790 1/20 0.43
IKBKB O14920 1/20 0.43
DYRK1A Q13627 1/20 0.42
DYRK1B Q9Y463 1/20 0.42
POLB P06746 1/20 0.41
RAB9A P51151 1/20 0.41

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
SCHEMBL8140554 0.91 VCAM1 (0.60) VCAM1ALDH1A1LMNAGAASMN1; SMN2
SCHEMBL9373575 0.85 VCAM1 (0.54) VCAM1ALDH1A1LMNAGAASMN1; SMN2
SCHEMBL7023145 0.84 VCAM1 (0.57) VCAM1ALDH1A1LMNAGAASMN1; SMN2
SCHEMBL4668707 0.81 XDH (0.52) VCAM1ALDH1A1LMNAGAASMN1; SMN2
SCHEMBL26926452 0.79 VCAM1 (0.48) VCAM1ALDH1A1LMNAGAASMN1; SMN2
SCHEMBL10928662 0.78 SMN1; SMN2 (0.54) VCAM1ALDH1A1LMNAGAASMN1; SMN2
SCHEMBL4667166 0.78 ALDH1A1 (0.58) ALDH1A1LMNASMN1; SMN2MEN1MAPT
SCHEMBL4667754 0.77 STS (0.67) VCAM1ALDH1A1LMNACYP19A1CA12
SCHEMBL31227792 0.77 VCAM1 (0.64) VCAM1ALDH1A1LMNAGAASMN1; SMN2
SCHEMBL1342722 0.77 VCAM1 (0.64) VCAM1ALDH1A1LMNAGAASMN1; SMN2

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4521345-A Aromatic coupling process ETHYL CORPORATION (US) 1985-06-04 US claimed
EP-1193250-B1 PHENYL SULFAMATE DERIVATIVES TEIKOKU HORMONE MFG CO LTD (JP) 2008-06-04 EP disclosed
US-6762205-B1 STEROID SULFATASE INHIBITORS WITHOUT ESTROGENIC SIDE EFFECT ACTION TEIKOKU HORMONE MFG. CO., LTD. (JP) 2004-07-13 US disclosed
EP-1193250-A1 PHENYL SULFAMATE DERIVATIVES Teikoku Hormone Mfg. Co., Ltd. (JP) 2002-04-03 EP disclosed
US-4521345-A Aromatic coupling process ETHYL CORPORATION (US) 1985-06-04 US disclosed
US-4521345-A Aromatic coupling process ETHYL CORPORATION (US) 1985-06-04 US disclosed