SCHEMBL9750240

SCHEMBL9750240

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.40
KMT2A Q03164 5/20 0.40
MAPT P10636 5/20 0.40
TDP1 Q9NUW8 4/20 0.40
ALDH1A1 P00352 4/20 0.40
MPI P34949 1/20 0.39
NQO1 P15559 1/20 0.38
NPC1 O15118 1/20 0.37
APOBEC3G Q9HC16 1/20 0.37
PDK2 Q15119 1/20 0.36
GAA P10253 3/20 0.36
KDM4E B2RXH2 3/20 0.36
ALOX12 P18054 3/20 0.36
HSD17B10 Q99714 2/20 0.36
TSHR P16473 1/20 0.36
CASP1 P29466 1/20 0.36
HTT P42858 1/20 0.36
TP53 P04637 1/20 0.36
USP2 O75604 1/20 0.35
NPSR1 Q6W5P4 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
SCHEMBL9734981 0.88 PDK2 (0.39) TDP1ALDH1A1MPIPDK2USP2
SCHEMBL11287132 0.87 MPI (0.38) MEN1KMT2AMAPTTDP1MPI
SCHEMBL9736313 0.85 PDK2 (0.42) NPC1PDK2TSHRTP53HPGD
SCHEMBL10881205 0.84 PDK2 (0.39) MEN1KMT2AMAPTTDP1ALDH1A1
SCHEMBL10881200 0.83 MPI (0.39) MEN1KMT2AMAPTTDP1ALDH1A1
SCHEMBL3819871 0.83 MAPT (0.43) MEN1KMT2AMAPTTDP1ALDH1A1
SCHEMBL26022329 0.82 PDK2 (0.42) MEN1KMT2ATDP1MPIPDK2
SCHEMBL9750432 0.82 HRH3 (0.48) MEN1KMT2ANPC1PDK2TP53
SCHEMBL11380468 0.81 KMT2A (0.49) MEN1KMT2AMAPTTDP1ALDH1A1
SCHEMBL9750274 0.81 MAOB (0.43) NPC1

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 16 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
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
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-0023671-B1 PROCESS FOR THE PREPARATION OF CATIONIC DYESTUFFS BAYER AG (DE) 1982-02-03 EP disclosed
US-4281112-A Process for the preparation of cationic dyestuffs BAYER AKTIENGESELLSCHAFT (DE) 1981-07-28 US disclosed
EP-0023671-A1 Process for the preparation of cationic dyestuffs BAYER AG (DE) 1981-02-11 EP disclosed
EP-0023652-A1 Process for the preparation of cationic dyestuffs BAYER AG (DE) 1981-02-11 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