SCHEMBL9302136

SCHEMBL9302136

Cc1nc2ccccc2n1Cc1ccc(CNC(=O)c2ccccc2)cc1

nearest known ligand 0.72

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 2/20 0.72
HDAC6 Q9UBN7 2/20 0.72
PPARG P37231 1/20 0.66
RORC P51449 1/20 0.64
LMNA P02545 2/20 0.63
TSHR P16473 1/20 0.63
HTT P42858 1/20 0.63
TNF P01375 1/20 0.63
MAPT P10636 2/20 0.62
NAMPT P43490 1/20 0.59
GALR3 O60755 2/20 0.59
NR2F2 P24468 2/20 0.59
RAB9A P51151 1/20 0.59
GAA P10253 1/20 0.58
MEN1 O00255 1/20 0.58
KMT2A Q03164 1/20 0.58
TP53 P04637 1/20 0.56
KDR P35968 1/20 0.55

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
SCHEMBL15567589 0.86 ALDH1A1 (0.62) HDAC1HDAC6PPARGLMNAHTT
SCHEMBL12850475 0.84 HDAC1 (1.00) HDAC1HDAC6TNFGALR3NR2F2
SCHEMBL14000450 0.84 HDAC1 (0.81) HDAC1HDAC6HTTTNFGALR3
SCHEMBL9302226 0.84 HDAC1 (0.73) HDAC1HDAC6PPARGTNFGALR3
SCHEMBL1331422 0.82 HDAC1 (0.74) HDAC1HDAC6PPARGTNFMAPT
Hydrochloric Acid SCHEMBL3500155 0.81 HDAC1 (0.73) HDAC1HDAC6PPARGTNFMAPT
SCHEMBL2886774 0.79 HDAC1 (0.66) HDAC1HDAC6LMNATSHRTNF
SCHEMBL3668391 0.79 HDAC1 (0.73) HDAC1HDAC6TNFMAPTGALR3
SCHEMBL9302454 0.79 PTAFR (0.61) HDAC1HDAC6LMNATSHRHTT
SCHEMBL231295 0.79 TNF (1.00) HDAC1HDAC6LMNATSHRHTT

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
WO-1990009997-A1 NOVEL BENZIMIDAZOLE DERIVATIVES BRITISH BIO-TECHNOLOGY LIMITED (GB) 1990-09-07 WO claimed
US-5314880-A Platelet activating factor antagonist BRITISH BIO-TECHNOLOGY LIMITED (GB) 1994-05-24 US disclosed
EP-0468971-A1 NOVEL BENZIMIDAZOLE DERIVATIVES BRITISH BIO-TECHNOLOGY LIMITED (GB) 1992-02-05 EP disclosed
WO-1990009997-A1 NOVEL BENZIMIDAZOLE DERIVATIVES BRITISH BIO-TECHNOLOGY LIMITED (GB) 1990-09-07 WO disclosed