SCHEMBL9750432

SCHEMBL9750432

C=C1N(C)c2ccc(OCc3ccccc3)cc2C1(C)C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.48
ALOX5 P09917 1/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
MAOB P27338 5/20 0.42
PDK2 Q15119 1/20 0.41
FSHR P23945 1/20 0.41
MAOA P21397 2/20 0.41
CYP3A4 P08684 1/20 0.41
SRD5A2 P31213 1/20 0.41
TP53 P04637 1/20 0.40
GRIN2D O15399 1/20 0.40
GRIN3B O60391 1/20 0.40
GRIN1 Q05586 1/20 0.40
GRIN2A Q12879 1/20 0.40
GRIN2B Q13224 1/20 0.40
GRIN2C Q14957 1/20 0.40
GRIN3A Q8TCU5 1/20 0.40

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
SCHEMBL11019035 0.90 HRH3 (0.48) HRH3ALOX5MEN1KMT2ANPC1
SCHEMBL9750274 0.88 MAOB (0.43) HRH3NPC1RAB9AMAOBMAOA
SCHEMBL9750098 0.87 MAOB (0.46) MEN1KMT2AMAOBMAOA
SCHEMBL9750285 0.85 HRH3 (0.43) HRH3ALOX5MEN1KMT2ANPC1
SCHEMBL28250868 0.84 POLB (0.48) HRH3ALOX5MEN1KMT2ANPC1
SCHEMBL9750421 0.84 ACHE (0.42) ALOX5KMT2AMAOBTP53
SCHEMBL9750240 0.82 MEN1 (0.40) MEN1KMT2ANPC1PDK2CYP3A4
SCHEMBL8942200 0.81 GRIA2 (0.42) NPC1MAOBPDK2MAOA
SCHEMBL11287132 0.81 MPI (0.38) MEN1KMT2A
SCHEMBL9734981 0.80 PDK2 (0.39) HRH3PDK2CYP3A4GRIN2DGRIN3B

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 12 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-0087706-B1 CATIONIC HYDRAZONE DYES, THEIR MANUFACTURE AND THEIR USE BAYER AG (DE) 1986-07-30 EP disclosed
EP-0074569-B1 CATIONIC METHINE DYES, PROCESS FOR THEIR PREPARATION AND THEIR USE, IN DYEING TEXTILE MATERIALS AND OTHER SUBSTRATES BAYER AG (DE) 1985-06-19 EP disclosed
US-4513142-A Preparation of cationic methine dyestuffs BAYER AKTIENGESELLSCHAFT (DE) 1985-04-23 US disclosed
US-4496719-A 3H-Indol-2-yl cationic hydrazone dyestuffs BAYER AKTIENGESELLSCHAFT (DE) 1985-01-29 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-0087706-A2 Cationic hydrazone dyes, their manufacture and their use BAYER AG (DE) 1983-09-07 EP disclosed
EP-0074569-A2 Cationic methine dyes, process for their preparation and their use, in dyeing textile materials and other substrates BAYER AG (DE) 1983-03-23 EP disclosed
US-4349670-A Process for the preparation of cationic dyestuffs BAYER AKTIENGESELLSCHAFT (DE) 1982-09-14 US disclosed
EP-0058863-A1 Process for the preparation of trimethine dyestuffs BAYER AG (DE) 1982-09-01 EP disclosed
EP-0023652-A1 Process for the preparation of cationic dyestuffs BAYER AG (DE) 1981-02-11 EP disclosed