SCHEMBL9503647

SCHEMBL9503647

CC1(Cc2ccc(S(=O)(=O)NCCC(c3ccccc3)c3ccccc3)cc2)N=c2ccccc2=N1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.48
NPSR1 Q6W5P4 1/20 0.48
ALDH1A1 P00352 4/20 0.41
HTT P42858 2/20 0.41
POLB P06746 1/20 0.41
TP53 P04637 1/20 0.41
GAA P10253 1/20 0.41
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
LSS P48449 1/20 0.39
KDM4E B2RXH2 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C19 P33261 1/20 0.39
TBXA2R P21731 2/20 0.39
TBXAS1 P24557 2/20 0.39
MAPT P10636 1/20 0.38
TAAR1 Q96RJ0 1/20 0.38
TDP1 Q9NUW8 1/20 0.38

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
SCHEMBL9501062 0.88 GBA1 (0.44) LMNANPSR1ALDH1A1HTTTP53
SCHEMBL9299658 0.82 DUT (0.48) NPSR1ALDH1A1POLBCA2CYP2C19
SCHEMBL8137542 0.80 MMP1 (0.55) ALDH1A1GAAKDM4EMAPTTDP1
SCHEMBL9501945 0.78 ALDH1A1 (0.47) ALDH1A1CA2MAPT
SCHEMBL9502675 0.76 CA2 (0.51) ALDH1A1POLBCA1CA2CYP2C19
SCHEMBL9502208 0.76 ALDH1A1 (0.64) NPSR1ALDH1A1POLBCA2CYP2C19
SCHEMBL19636582 0.76 LMNA (0.76) LMNANPSR1ALDH1A1HTTTP53
SCHEMBL9502025 0.75 ALDH1A1 (0.47) NPSR1ALDH1A1HTTPOLBCA2
SCHEMBL9673430 0.73 SMN1; SMN2 (0.52) LMNANPSR1ALDH1A1HTTPOLB
SCHEMBL9670882 0.73 CA2 (0.48) CA1CA2MAPT

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 4 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