SCHEMBL9750254

SCHEMBL9750254

C=C1N(C)c2c(C)cc(OCc3ccccc3)cc2C1(C)C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.40
NPC1 O15118 5/20 0.40
RAB9A P51151 5/20 0.40
MEN1 O00255 4/20 0.40
KMT2A Q03164 4/20 0.40
GRM5 P41594 1/20 0.38
MAOB P27338 3/20 0.38
TP53 P04637 2/20 0.36
ALOX5 P09917 1/20 0.36
S1PR1 P21453 1/20 0.36
S1PR5 Q9H228 1/20 0.36
KDM4C Q9H3R0 1/20 0.36
MRGPRX4 Q96LA9 1/20 0.36
FFAR1 O14842 1/20 0.35
PKM P14618 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
PDK2 Q15119 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
MAOA P21397 1/20 0.35
CASP3 P42574 1/20 0.35

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
SCHEMBL11019682 0.80 MAPT (0.40) HRH3NPC1RAB9AMEN1KMT2A
SCHEMBL9750432 0.80 HRH3 (0.48) HRH3NPC1RAB9AMEN1KMT2A
SCHEMBL11019035 0.77 HRH3 (0.48) HRH3NPC1RAB9AMEN1KMT2A
SCHEMBL9750259 0.75 MAPT (0.46) MEN1KMT2AL3MBTL1TDP1
SCHEMBL9750449 0.75 MAPT (0.40) HRH3NPC1RAB9AMEN1KMT2A
SCHEMBL9750274 0.71 MAOB (0.43) HRH3NPC1RAB9AMAOBSMN1; SMN2
SCHEMBL9750285 0.70 HRH3 (0.43) HRH3NPC1RAB9AMEN1KMT2A
SCHEMBL4602669 0.70 MPI (0.38) MEN1KMT2ATDP1
SCHEMBL10903897 0.70 L3MBTL1 (0.55) NPC1RAB9AMEN1KMT2AGRM5
SCHEMBL9750421 0.69 ACHE (0.42) KMT2AMAOBTP53ALOX5S1PR1

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 4 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
EP-0058863-A1 Process for the preparation of trimethine dyestuffs BAYER AG (DE) 1982-09-01 EP disclosed