SCHEMBL1800064

SCHEMBL1800064

COc1ccc(C(=O)Cn2c(-n3nccc3N)nc3ccccc32)cn1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CTSD P07339 2/20 0.46
▸ MAPT P10636 4/20 0.44
▸ LMNA P02545 3/20 0.44
▸ TSHR P16473 1/20 0.44
▸ TDP1 Q9NUW8 1/20 0.44
▸ ALDH1A1 P00352 3/20 0.42
▸ NPSR1 Q6W5P4 3/20 0.41
▸ F2R P25116 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ HTT P42858 1/20 0.40
▸ CXCR3 P49682 2/20 0.39
▸ ALPL P05186 1/20 0.39
▸ ALPP P05187 1/20 0.39
▸ ALPG P10696 1/20 0.39
▸ PLAA Q9Y263 1/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ BLM P54132 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ CSF1R P07333 1/20 0.39

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
SCHEMBL1803118 0.86 MAPT (0.59) CTSDMAPTLMNATSHRTDP1
SCHEMBL1801571 0.85 CTSD (0.45) CTSDTSHRALDH1A1NPSR1F2R
SCHEMBL1802357 0.85 F2R (0.41) CTSDMAPTLMNATSHRTDP1
SCHEMBL1802857 0.81 CXCR3 (0.57) CTSDMAPTLMNATSHRALDH1A1
SCHEMBL1802569 0.81 SMN1; SMN2 (0.50) CTSDTDP1ALDH1A1NPSR1F2R
SCHEMBL5000979 0.68 SMN1; SMN2 (0.45) CTSDMAPTLMNATSHRTDP1
SCHEMBL1801438 0.68 SMN1; SMN2 (0.49) CTSDMAPTLMNATDP1ALDH1A1
SCHEMBL1818686 0.67 MAPT (0.59) CTSDMAPTLMNATSHRTDP1
SCHEMBL1491096 0.64 POLB (0.47) MAPTMEN1KMT2A
SCHEMBL2581813 0.63 KDM4E (0.68) MAPTTSHRSMN1; SMN2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7951957-B2 Substituted benzimidazoles and their use for inducing apoptosis BASILEA PHARMACEUTICA AG (CH) 2011-05-31 — — US claimed
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