SCHEMBL9750023

SCHEMBL9750023

C=C1N(CC)c2ccc(C(=O)OCC)cc2C1(C)C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARA P10276 2/20 0.47
RARB P10826 2/20 0.47
CA12 O43570 2/20 0.44
CA1 P00915 2/20 0.44
CA2 P00918 2/20 0.44
CA7 P43166 2/20 0.44
CA9 Q16790 2/20 0.44
CA14 Q9ULX7 2/20 0.44
ALDH1A1 P00352 2/20 0.44
MAPT P10636 2/20 0.44
RECQL P46063 1/20 0.44
LMNA P02545 2/20 0.43
TP53 P04637 1/20 0.43
THRB P10828 1/20 0.43
MEN1 O00255 1/20 0.43
PABPC1 P11940 1/20 0.43
APOBEC3A P31941 1/20 0.43
KMT2A Q03164 1/20 0.43
EIF4H Q15056 1/20 0.43
APOBEC3G Q9HC16 1/20 0.43

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
SCHEMBL9750298 0.86 RARA (0.50) RARARARBCA12CA1CA2
SCHEMBL10905705 0.73 RARA (0.56) RARARARBCA12CA1CA2
SCHEMBL4615673 0.72 ALDH1A1 (0.45) ALDH1A1MAPTLMNAMEN1APOBEC3A
SCHEMBL9735566 0.72 ALDH1A1 (0.48) ALDH1A1MAPTLMNAESR1RAB9A
SCHEMBL11850501 0.72 HTT (0.51) RARARARBCA12CA1CA2
SCHEMBL11850588 0.72 HTT (0.51) RARARARBCA12CA1CA2
SCHEMBL11028044 0.71 LMNA (0.47) ALDH1A1MAPTRECQLLMNAMEN1
SCHEMBL7712511 0.70 CASP3 (0.49) CA12CA1CA2CA7CA9
SCHEMBL9750176 0.70 TDP1 (0.43) ALDH1A1MAPTLMNAMEN1KMT2A
SCHEMBL22068790 0.70 SMN1; SMN2 (0.39) RARARARBALDH1A1MAPTALOX15

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 13 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
EP-0058863-A1 Process for the preparation of trimethine dyestuffs BAYER AG (DE) 1982-09-01 EP disclosed
US-4201707-A Methine dyestuffs containing a phenyl azo group BAYER AKTIENGESELLSCHAFT (DE) 1980-05-06 US disclosed
US-4143228-A RED SHADES BAYER AKTIENGESELLSCHAFT (DE) 1979-03-06 US disclosed
US-4138570-A METHINE DYE BAYER AKTIENGESELLSCHAFT (DE) 1979-02-06 US disclosed