SCHEMBL9302454

SCHEMBL9302454

Cc1nc2ccccc2n1Cc1ccc(CNC(=O)C2CCCCC2)cc1

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTAFR P25105 2/20 0.61
TP53 P04637 2/20 0.56
RXFP1 Q9HBX9 1/20 0.56
HDAC1 Q13547 1/20 0.56
HDAC6 Q9UBN7 1/20 0.56
LMNA P02545 2/20 0.55
TSHR P16473 1/20 0.55
HTT P42858 1/20 0.55
ALDH1A1 P00352 2/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
TNF P01375 1/20 0.53
GALR3 O60755 2/20 0.53
NR2F2 P24468 2/20 0.53
RAB9A P51151 1/20 0.53
HRH3 Q9Y5N1 4/20 0.52
THRB P10828 1/20 0.52
HPGD P15428 1/20 0.51
TDP1 Q9NUW8 1/20 0.51

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
SCHEMBL10475504 0.81 TSHR (0.60) TP53RXFP1LMNATSHRHTT
SCHEMBL9302136 0.79 HDAC1 (0.72) TP53HDAC1HDAC6LMNATSHR
SCHEMBL15567387 0.77 TP53 (0.54) TP53RXFP1ALDH1A1HRH3
SCHEMBL9302826 0.77 PTAFR (0.83) PTAFRHDAC1HDAC6TNFGALR3
SCHEMBL9301610 0.76 PTAFR (1.00) PTAFRHDAC1HDAC6TNFGALR3
SCHEMBL9303746 0.74 PTAFR (0.67) PTAFRHDAC1HDAC6TSHRALDH1A1
SCHEMBL9303757 0.74 PTAFR (0.78) PTAFRHDAC1HDAC6TNFGALR3
SCHEMBL9302834 0.74 PTAFR (1.00) PTAFRHDAC1HDAC6LMNAALDH1A1
SCHEMBL507837 0.73 ALDH1A1 (0.90) HDAC6LMNAHTTALDH1A1SMN1; SMN2
SCHEMBL1331422 0.73 HDAC1 (0.74) PTAFRHDAC1HDAC6ALDH1A1SMN1; 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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