SCHEMBL646401

SCHEMBL646401

[CH]=Cc1ccc(N(CC=C)CC=C)cc1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CHKA P35790 1/20 0.41
ALDH1A1 P00352 2/20 0.36
ALDH3A1 P30838 1/20 0.36
ALDH1A3 P47895 1/20 0.36
GAA P10253 2/20 0.32
KDM4E B2RXH2 1/20 0.32
PTPN1 P18031 2/20 0.31
CNR1 P21554 1/20 0.31
CNR2 P34972 1/20 0.31
CYP2A6 P11509 1/20 0.30
CYP2A13 Q16696 1/20 0.30
CRHR1 P34998 1/20 0.30
CYP1A2 P05177 1/20 0.30

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
SCHEMBL851567 0.84 CHKA (0.50) CHKAALDH1A1ALDH3A1ALDH1A3GAA
SCHEMBL608140 0.83 ALDH1A1 (0.50) CHKAALDH1A1ALDH3A1ALDH1A3GAA
SCHEMBL8108500 0.83 CHKA (0.43) CHKAALDH1A1ALDH3A1ALDH1A3GAA
SCHEMBL7932087 0.81 APP (0.41) CHKAALDH1A1ALDH3A1ALDH1A3PTPN1
SCHEMBL10885220 0.80 CHKA (0.39) CHKAALDH1A1ALDH3A1ALDH1A3GAA
SCHEMBL3261124 0.79 ALDH1A1 (0.61) CHKAALDH1A1ALDH3A1ALDH1A3GAA
SCHEMBL9566328 0.78 CHKA (0.43) CHKAALDH1A1ALDH3A1ALDH1A3GAA
SCHEMBL6466250 0.78 CHKA (0.46) CHKAALDH1A1ALDH3A1ALDH1A3GAA
SCHEMBL7162904 0.78 CHKA (0.46) CHKAALDH1A1ALDH3A1ALDH1A3GAA
SCHEMBL6692403 0.78 CHKA (0.46) CHKAALDH1A1ALDH3A1ALDH1A3GAA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8119323-B2 Process for producing patterned film and photosensitive resin composition SEKISUI CHEMICAL CO., LTD. (JP) 2012-02-21 US disclosed
US-20090202942-A1 PROCESS FOR PRODUCING PATTERNED FILM AND PHOTOSENSITIVE RESIN COMPOSITION SEKISUI CHEMICAL CO., LTD. (JP) 2009-08-13 US disclosed