SCHEMBL29688451

SCHEMBL29688451

CC(C(N)=O)c1ccccc1[N+](=O)[O-]

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.55
CYP1A2 P05177 2/20 0.53
TSHR P16473 2/20 0.50
PLAU P00749 1/20 0.45
HSD17B10 Q99714 1/20 0.44
CTSD P07339 1/20 0.44
CXCL8 P10145 1/20 0.43
TDP1 Q9NUW8 2/20 0.41
GPR35 Q9HC97 1/20 0.41
F2 P00734 1/20 0.41
PRSS1 P07477 1/20 0.41
PRSS2 P07478 1/20 0.41
PRSS3 P35030 1/20 0.41
POLB P06746 1/20 0.40
CYP2C19 P33261 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL1305446 1.00 ALDH1A1 (0.55) ALDH1A1CYP1A2TSHRPLAUHSD17B10
SCHEMBL27474823 0.86 ALDH1A1 (0.58) ALDH1A1CYP1A2TSHRHSD17B10CTSD
SCHEMBL3003307 0.84 ALDH1A1 (0.57) ALDH1A1CYP1A2TSHRHSD17B10CTSD
SCHEMBL2431833 0.84 CYP1A2 (0.63) ALDH1A1CYP1A2TSHRHSD17B10TDP1
SCHEMBL2431836 0.84 CYP1A2 (0.63) ALDH1A1CYP1A2TSHRHSD17B10TDP1
SCHEMBL7895205 0.83 ALDH1A1 (0.56) ALDH1A1CYP1A2TSHRPLAUHSD17B10
SCHEMBL27935952 0.83 ALDH1A1 (0.52) ALDH1A1CYP1A2TSHRPLAUHSD17B10
SCHEMBL2413159 0.83 ALDH1A1 (0.55) ALDH1A1CYP1A2TSHRHSD17B10CTSD
SCHEMBL7733065 0.83 CYP1A2 (0.57) ALDH1A1CYP1A2TSHRHSD17B10CTSD
SCHEMBL974764 0.83 ALDH1A1 (0.55) ALDH1A1CYP1A2TSHRHSD17B10TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11678968-B2 Urological device including a valve retained in a urinary catheter COLOPLAST A/S (DK) 2023-06-20 US disclosed
CN-111825611-B 4(1H) -quinovone derivatives and uses thereof 刘扶东 2022-09-09 CN disclosed
EP-4029859-A1 2-OXOTHIAZOLIDIN-4-ONE DERIVATIVES ACTIVE AS TRANSTHYRETIN LIGANDS AND USES THEREOF BSIM THERAPEUTICS, S.A. (PT) 2022-07-20 EP disclosed