SCHEMBL7789619

SCHEMBL7789619

N/N=N/c1cccc2ccccc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 5/20 0.50
CYP1A2 P05177 5/20 0.50
ALDH1A1 P00352 4/20 0.50
TDP1 Q9NUW8 3/20 0.50
HPGD P15428 3/20 0.50
CYP3A4 P08684 3/20 0.50
ABCB11 O95342 1/20 0.50
NR3C1 P04150 1/20 0.50
ADRA2A P08913 1/20 0.50
ADORA3 P0DMS8 1/20 0.50
ALOX15 P16050 1/20 0.50
ADRA2C P18825 1/20 0.50
MAOA P21397 1/20 0.50
DRD1 P21728 1/20 0.50
SLC6A4 P31645 1/20 0.50
HTR2B P41595 1/20 0.50
CCR2 P41597 1/20 0.50
CCNE2 O96020 1/20 0.49
CCNE1 P24864 1/20 0.49
CDK2 P24941 1/20 0.49

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
SCHEMBL18913894 1.00 HSD17B10 (0.50) HSD17B10CYP1A2ALDH1A1TDP1HPGD
SCHEMBL7894503 1.00 HSD17B10 (0.50) HSD17B10CYP1A2ALDH1A1TDP1HPGD
SCHEMBL7650795 0.85 CYP1A2 (0.58) HSD17B10CYP1A2ALDH1A1TDP1HPGD
SCHEMBL2291745 0.85 CYP1A2 (0.58) HSD17B10CYP1A2ALDH1A1TDP1HPGD
SCHEMBL30854927 0.83 CYP1A2 (0.56) HSD17B10CYP1A2ALDH1A1TDP1HPGD
Benzene SCHEMBL7716364 0.83 CYP1A2 (0.56) HSD17B10CYP1A2ALDH1A1TDP1HPGD
SCHEMBL28496032 0.83 CYP1A2 (0.56) HSD17B10CYP1A2ALDH1A1TDP1HPGD
Benzene SCHEMBL11235066 0.83 CYP1A2 (0.56) HSD17B10CYP1A2ALDH1A1TDP1HPGD
Naphthalene SCHEMBL6560501 0.83 CYP1A2 (0.56) HSD17B10CYP1A2ALDH1A1TDP1HPGD
SCHEMBL733944 0.81 ALDH1A1 (0.54) HSD17B10CYP1A2ALDH1A1TDP1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-6322115-A None JP disclosed
JP-61098790-A None JP disclosed
EP-0917555-B1 ELECTROCHROME SYSTEM BAYER AG (DE) 2001-11-21 EP disclosed
US-6277307-B1 SYSTEM COMPRISING OXIDIZABLE SUBSTANCE WHICH, BY RELEASING ELECTRONS AT ANODE, IS CONVERTED FROM COLORLESS TO COLORED FORM AND REDUCIBLE SUBSTANCE WHICH, BY ACCEPTING ELECTRONS AT CATHODE, IS CONVERTED FROM COLORLESS TO COLORED FORM BAYER AKTIENGESELLSCHAFT (DE) 2001-08-21 US disclosed
US-6183878-B1 Electrochromic system BAYER AKTIENGESELLSCHAFT (DE) 2001-02-06 US disclosed
EP-0880567-B1 ELECTROCHROMIC SYSTEM BAYER AG (DE) 2000-05-17 EP disclosed
JP-H06322115-A POLYAMINOAZONAPHTHALENE AND ITS PRODUCTION OSAKA GAS CO LTD 1994-11-22 JP disclosed
JP-S6198790-A CARBONIZATION OF COAL NIPPON STEEL CHEM CO LTD 1986-05-17 JP disclosed