SCHEMBL3674346

SCHEMBL3674346

NC(N)c1ccc2ccccc2c1F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.44
HSD17B10 Q99714 4/20 0.44
TSHR P16473 3/20 0.44
CYP2A6 P11509 3/20 0.44
TDP1 Q9NUW8 1/20 0.44
HPRT1 P00492 3/20 0.41
HIF1A Q16665 1/20 0.38
CYP1B1 Q16678 1/20 0.38
CYP1A2 P05177 2/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
HPGD P15428 2/20 0.37
CYP3A4 P08684 1/20 0.37
KEAP1 Q14145 1/20 0.37
PTPN22 Q9Y2R2 1/20 0.34
PAX8 Q06710 1/20 0.34
HTR2A P28223 1/20 0.34
HTR2C P28335 1/20 0.34
DNMT1 P26358 1/20 0.33
KDM4E B2RXH2 1/20 0.33

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
SCHEMBL19807266 0.79 ALDH1A1 (0.44) ALDH1A1HSD17B10TSHRCYP2A6TDP1
SCHEMBL3670215 0.75 POLB (0.50) ALDH1A1HSD17B10TSHRCYP2A6TDP1
SCHEMBL3673589 0.75 CYP2A6 (0.54) ALDH1A1HSD17B10TSHRCYP2A6TDP1
SCHEMBL1835730 0.73 ALDH1A1 (0.60) ALDH1A1HSD17B10TSHRCYP2A6TDP1
SCHEMBL31589324 0.72 ALDH1A1 (0.58) ALDH1A1HSD17B10TSHRCYP2A6TDP1
SCHEMBL11740031 0.72 CYP1A2 (0.41) ALDH1A1HSD17B10TSHRCYP2A6TDP1
SCHEMBL3826832 0.71 ALDH1A1 (0.52) ALDH1A1HSD17B10TSHRCYP2A6TDP1
SCHEMBL31404828 0.71 ALDH1A1 (0.52) ALDH1A1HSD17B10TSHRCYP2A6TDP1
SCHEMBL3674343 0.71 ALDH1A1 (0.44) ALDH1A1HSD17B10TSHRCYP2A6TDP1
SCHEMBL11460390 0.71 AKR1B1 (0.50) ALDH1A1TSHRHIF1ACYP1A2CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1426392-B1 COMPOSITION FOR OPTICAL MATERIAL MITSUBISHI GAS CHEMICAL CO (JP) 2010-02-24 EP disclosed
US-6960640-B2 Composition for optical material MITSUBISHI GAS CHEMICAL CO., LTD. (JP) 2005-11-01 US disclosed
US-20040147708-A1 Composition for optical material MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2004-07-29 US disclosed
EP-1426392-A1 COMPOSITION FOR OPTICAL MATERIAL MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2004-06-09 EP disclosed