SCHEMBL9750274

SCHEMBL9750274

C=C1N(C)c2ccc(OCc3ccc(C)cc3)cc2C1(C)C

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAOB P27338 14/20 0.43
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
MAOA P21397 7/20 0.41
CASP3 P42574 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
SENP8 Q96LD8 1/20 0.40
SENP7 Q9BQF6 1/20 0.40
SENP6 Q9GZR1 1/20 0.40
HRH3 Q9Y5N1 1/20 0.39
ACHE P22303 1/20 0.39
PARP10 Q53GL7 1/20 0.38
AR P10275 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
SCHEMBL9750098 0.89 MAOB (0.46) MAOBMAOAACHE
SCHEMBL9750432 0.88 HRH3 (0.48) MAOBNPC1RAB9AMAOAHRH3
SCHEMBL9750440 0.82 GRIA2 (0.42) SMN1; SMN2AR
SCHEMBL9750240 0.81 MEN1 (0.40) NPC1
SCHEMBL9750421 0.80 ACHE (0.42) MAOBACHE
SCHEMBL11287132 0.80 MPI (0.38)
SCHEMBL9734981 0.79 PDK2 (0.39) HRH3
SCHEMBL11019035 0.78 HRH3 (0.48) MAOBNPC1RAB9AMAOAHRH3
SCHEMBL10881205 0.77 PDK2 (0.39) MAOASMN1; SMN2
SCHEMBL4603835 0.77 KMT2A (0.53) SMN1; 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-5120858-A Condensation of 2-methyleneindoline and formic acid in acetic anhydride MILES INC. (US) 1992-06-09 US disclosed
EP-0058863-B1 PROCESS FOR THE PREPARATION OF TRIMETHINE DYESTUFFS BAYER AG (DE) 1985-01-23 EP disclosed
US-4419511-A Process for the preparation of trimethine dyestuffs BAYER AKTIENGESELLSCHAFT (US) 1983-12-06 US disclosed