SCHEMBL1618150

SCHEMBL1618150

O=C1OC(C=C(c2ccc(N3CCCC3)cc2)c2ccc(N3CCCC3)cc2)(C=C(c2ccc(N3CCCC3)cc2)c2ccc(N3CCCC3)cc2)c2ccc([N+](=O)[O-])cc21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.45
CTSL P07711 1/20 0.44
CTSB P07858 1/20 0.44
CA12 O43570 1/20 0.42
CA9 Q16790 1/20 0.42
SMN1; SMN2 Q16637 6/20 0.40
LMNA P02545 6/20 0.40
POLB P06746 1/20 0.40
HTT P42858 1/20 0.40
APOBEC3G Q9HC16 1/20 0.40
ALDH1A1 P00352 5/20 0.39
PAX8 Q06710 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
AKR1C3 P42330 1/20 0.38
NPBWR1 P48145 1/20 0.38
MEN1 O00255 1/20 0.37
GAA P10253 1/20 0.37

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
SCHEMBL1618574 0.93 MAPT (0.46) MAPTCTSLCTSBSMN1; SMN2LMNA
SCHEMBL1617727 0.87 ALDH1A1 (0.43) MAPTSMN1; SMN2LMNAPOLBALDH1A1
SCHEMBL1617957 0.83 MAPT (0.39) MAPTCA12CA9SMN1; SMN2LMNA
SCHEMBL1618209 0.81 ALDH1A1 (0.43) MAPTCTSLCTSBSMN1; SMN2LMNA
SCHEMBL1617467 0.81 NPC1 (0.47) MAPTSMN1; SMN2LMNAALDH1A1GAA
SCHEMBL9803597 0.80 NPC1 (0.46) MAPTSMN1; SMN2LMNAPOLBALDH1A1
SCHEMBL1616780 0.80 ALDH1A1 (0.42) MAPTCA9SMN1; SMN2ALDH1A1CYP1A2
SCHEMBL1618083 0.80 RAB9A (0.40) MAPTSMN1; SMN2LMNAALDH1A1MEN1
SCHEMBL1618378 0.80 ALDH1A1 (0.42) MAPTSMN1; SMN2LMNAPOLBHTT
SCHEMBL1618125 0.78 ALDH1A1 (0.40) MAPTSMN1; SMN2LMNAPOLBHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7923488-B2 Leuco dyes with a N,N-dialkylamino, N,N-diarylamino, N-alkyl-N-arylamino, N-alkylamino, or N-arylamino group on one of the aromatic rings and a latent curing agent or catalyst activate-able by heat, pressure, or radiation TRILLION SCIENCE, INC. (US) 2011-04-12 US disclosed
US-20080090943-A1 Leuco dyes with a N,N-dialkylamino, N,N-diarylamino, N-alkyl-N-arylamino, N-alkylamino, or N-arylamino group on one of the aromatic rings and a latent curing agent or catalyst activate-able by heat, pressure, or radiation TRILLION, INC. 2008-04-17 US disclosed
US-5242884-A Storage stability, antioxidant, secondary amine, basic dye KANZAKI PAPER MANUFACTURING CO., LTD. (JP) 1993-09-07 US disclosed
EP-0232907-B1 HEAT-SENSITIVE RECORDING MATERIAL KANZAKI PAPER MANUFACTURING COMPANY LIMITED (JP) 1991-03-27 EP disclosed
EP-0196484-B1 PRESSURE SENSITIVE MANIFOLD SHEET KANZAKI PAPER MANUFACTURING COMPANY LIMITED (JP) 1990-05-09 EP disclosed
US-4761396-A BASIC PHTHALIDE DYE REACTS WITH FLUORENE DERIVATIVE AND P-PHENYLENEDIAMINE DERIVATIVE KANZAKI PAPER MANUFACTURING CO., LTD. (JP) 1988-08-02 US disclosed
US-4704379-A Pressure sensitive manifold sheet KANZAKI PAPER MANUFACTURING CO. LTD. (JP) 1987-11-03 US disclosed
EP-0196484-A1 Pressure sensitive manifold sheet KANZAKI PAPER MANUFACTURING COMPANY LIMITED (JP) 1986-10-08 EP disclosed
US-4580153-A COLOR FORMING BETWEEN COLORLESS CHROMOGENIC VINYL PHTHALIDE COMPOUND AND ELECTRON ACCEPTOR KANZAKI PAPER MANUFACTURING CO., LTD. (JP) 1986-04-01 US disclosed