SCHEMBL9502580

SCHEMBL9502580

COc1ccc(CCNS(=O)(=O)c2ccc(Cn3c(C)nc4ccccc43)cc2)cc1OC

nearest known ligand 0.62

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.62
ALDH1A1 P00352 5/20 0.57
LMNA P02545 2/20 0.54
PTGDR2 Q9Y5Y4 1/20 0.54
CYP19A1 P11511 1/20 0.53
SMN1; SMN2 Q16637 3/20 0.52
CYP1A2 P05177 1/20 0.52
CYP3A4 P08684 1/20 0.52
CYP2D6 P10635 1/20 0.52
CYP2C9 P11712 1/20 0.52
CYP2C19 P33261 1/20 0.52
TSHR P16473 1/20 0.51
MAPK1 P28482 1/20 0.51
POLB P06746 1/20 0.51
SFRP1 Q8N474 1/20 0.51
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
TDP1 Q9NUW8 1/20 0.49

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
SCHEMBL9303635 0.90 LMNA (0.59) HTTALDH1A1LMNASMN1; SMN2CYP1A2
SCHEMBL9302400 0.85 ALDH1A1 (0.53) HTTALDH1A1LMNASMN1; SMN2CYP1A2
SCHEMBL9302427 0.79 ALDH1A1 (0.53) HTTALDH1A1LMNASMN1; SMN2CYP1A2
SCHEMBL8129105 0.78 HDAC1 (0.56) HTTALDH1A1SMN1; SMN2CYP1A2CYP2C19
SCHEMBL9302805 0.78 TNF (0.53) HTTALDH1A1SMN1; SMN2TSHRMAPK1
SCHEMBL5960056 0.78 HTT (1.00) HTTALDH1A1LMNACYP19A1SMN1; SMN2
SCHEMBL9299036 0.77 TNF (0.55) ALDH1A1LMNACYP1A2CYP2C19POLB
SCHEMBL5960103 0.77 ALDH1A1 (0.79) HTTALDH1A1LMNASMN1; SMN2TSHR
SCHEMBL9304259 0.76 GALR3 (0.69) ALDH1A1MAPK1
SCHEMBL8137536 0.76 TNF (0.59) HTTALDH1A1LMNACYP1A2CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0543861-A1 IMIDAZOPYRIDINE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR APPLICATION BRITISH BIO-TECHNOLOGY LIMITED (GB) 1993-06-02 EP claimed
WO-1992003422-A1 BENZIMIDAZOLE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR APPLICATION BRITISH BIO-TECHNOLOGY LIMITED (GB) 1992-03-05 WO claimed
EP-0543861-A1 IMIDAZOPYRIDINE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR APPLICATION BRITISH BIO-TECHNOLOGY LIMITED (GB) 1993-06-02 EP disclosed
US-5180723-A Hypertensives, bronchodilators, antiedemic agents BRITISH BIO-TECHNOLOGY LIMITED (GB) 1993-01-19 US disclosed
WO-1992003422-A1 BENZIMIDAZOLE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR APPLICATION BRITISH BIO-TECHNOLOGY LIMITED (GB) 1992-03-05 WO disclosed