SCHEMBL27972318

SCHEMBL27972318

O=C(Cc1c(Cl)cccc1Cl)Nc1ccc(-c2cccc3c2C=CCC3)cc1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 1/20 0.48
▸ RECQL P46063 1/20 0.44
▸ SMN1; SMN2 Q16637 4/20 0.42
▸ ROCK2 O75116 1/20 0.42
▸ KMT2A Q03164 4/20 0.40
▸ LMNA P02545 3/20 0.40
▸ ATM Q13315 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.39
▸ MEN1 O00255 2/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ XBP1 P17861 1/20 0.38
▸ ANO1 Q5XXA6 1/20 0.37

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
SCHEMBL27972313 0.90 KCNJ5 (0.50) PTPN1SMN1; SMN2ROCK2KMT2ALMNA
SCHEMBL27972580 0.85 BCHE (0.49) SMN1; SMN2KMT2AALDH1A1MEN1NPC1
SCHEMBL28260015 0.85 HCAR2 (0.41) SMN1; SMN2KMT2ALMNAALDH1A1MEN1
SCHEMBL28259976 0.85 KCNJ5 (0.39) PTPN1RECQLSMN1; SMN2ROCK2KMT2A
SCHEMBL27972283 0.83 MEN1 (0.41) SMN1; SMN2KMT2ALMNAALDH1A1MEN1
SCHEMBL27972549 0.82 SMO (0.53) SMN1; SMN2KMT2ALMNAMEN1NPC1
SCHEMBL28259946 0.82 PTPN1 (0.42) PTPN1RECQLSMN1; SMN2ROCK2KMT2A
SCHEMBL27972587 0.80 ALDH1A1 (0.53) SMN1; SMN2KMT2ALMNAALDH1A1MEN1
SCHEMBL27972589 0.80 KCNJ5 (0.57) ROCK2LMNAALDH1A1POLBANO1
SCHEMBL28425371 0.79 RAB9A (0.47) SMN1; SMN2KMT2ALMNAALDH1A1MEN1

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
CN-104066724-A P2X4 receptor antagonists NIPPON CHEMIPHAR CO 2014-09-24 — — CN disclosed
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