SCHEMBL9750080

SCHEMBL9750080

C=C1N(C)c2c(OCc3ccc(C)cc3)cccc2C1(C)C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.39
KMT2A Q03164 3/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
MAPT P10636 5/20 0.38
TDP1 Q9NUW8 3/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
MAPK1 P28482 1/20 0.38
HTR1A P08908 1/20 0.38
ADRA1D P25100 1/20 0.38
ADRA1A P35348 1/20 0.38
ADRA1B P35368 1/20 0.38
MEN1 O00255 2/20 0.37
MAOB P27338 5/20 0.37
CARM1 Q86X55 2/20 0.35
PRMT1 Q99873 2/20 0.35
HPD P32754 1/20 0.35
LMNA P02545 3/20 0.35
HTT P42858 1/20 0.35
MAOA P21397 2/20 0.34
HPGD P15428 3/20 0.33

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
SCHEMBL9750259 0.90 MAPT (0.46) ALDH1A1KMT2AMAPTTDP1L3MBTL1
SCHEMBL11020994 0.89 MAPT (0.45) ALDH1A1KMT2ASMN1; SMN2MAPTTDP1
SCHEMBL9750446 0.85 ALDH1A1 (0.36) ALDH1A1KMT2ASMN1; SMN2MAPTL3MBTL1
SCHEMBL9750191 0.81 PDK2 (0.39) ALDH1A1KMT2AMAPTTDP1L3MBTL1
SCHEMBL11019682 0.79 MAPT (0.40) ALDH1A1KMT2ASMN1; SMN2MAPTTDP1
SCHEMBL11019576 0.78 MAPT (0.46) ALDH1A1KMT2ASMN1; SMN2MAPTTDP1
SCHEMBL9750256 0.76 ALDH1A1 (0.35) ALDH1A1KMT2ASMN1; SMN2MAPTL3MBTL1
SCHEMBL9750451 0.73 ALDH1A1 (0.44) ALDH1A1KMT2ASMN1; SMN2MAPTTDP1
SCHEMBL9750274 0.72 MAOB (0.43) SMN1; SMN2MAOBMAOANPC1RAB9A
SCHEMBL4603103 0.71 MEN1 (0.37) ALDH1A1KMT2AMAPTTDP1MEN1

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