SCHEMBL28752131

SCHEMBL28752131

O=C(Nc1ccc(Cl)cc1)Nc1ncccn1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 5/20 0.69
▸ NPC1 O15118 4/20 0.69
▸ MEN1 O00255 6/20 0.68
▸ KMT2A Q03164 6/20 0.68
▸ MAPT P10636 5/20 0.68
▸ KDM4E B2RXH2 2/20 0.68
▸ HTT P42858 5/20 0.67
▸ SMN1; SMN2 Q16637 3/20 0.67
▸ LMNA P02545 3/20 0.67
▸ ALDH1A1 P00352 2/20 0.67
▸ KDR P35968 1/20 0.60
▸ CYP1A2 P05177 1/20 0.58
▸ CYP2D6 P10635 1/20 0.58
▸ CYP2C9 P11712 1/20 0.58
▸ CYP2C19 P33261 1/20 0.58
▸ CASP3 P42574 1/20 0.58
▸ SENP8 Q96LD8 1/20 0.58
▸ SENP7 Q9BQF6 1/20 0.58
▸ SENP6 Q9GZR1 1/20 0.58
▸ CNR1 P21554 6/20 0.57

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
SCHEMBL8706216 0.83 SMN1; SMN2 (0.68) RAB9ANPC1MEN1KMT2AMAPT
SCHEMBL24272434 0.83 CNR1 (0.69) RAB9ANPC1MEN1KMT2AMAPT
SCHEMBL4741253 0.82 MEN1 (0.76) RAB9ANPC1MEN1KMT2AMAPT
SCHEMBL11048619 0.82 MEN1 (0.76) RAB9ANPC1MEN1KMT2AMAPT
SCHEMBL27600376 0.81 NPC1 (0.61) RAB9ANPC1MEN1KMT2ASMN1; SMN2
SCHEMBL27583080 0.81 KMT2A (0.74) RAB9ANPC1MEN1KMT2AMAPT
SCHEMBL13235178 0.80 RAB9A (1.00) RAB9ANPC1MEN1KMT2AMAPT
SCHEMBL23566413 0.80 LMNA (0.56) RAB9ANPC1MEN1KMT2AMAPT
SCHEMBL13552998 0.79 KMT2A (1.00) RAB9ANPC1MEN1KMT2AMAPT
SCHEMBL28749954 0.79 MAPT (0.67) RAB9ANPC1MEN1KMT2AMAPT

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-1478772-A Synthesis method of -N-phenyl-N'-pyridyl substituted carbamide derivative 中国科学院大连化学物理研究所 2004-03-03 — — CN disclosed
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