Benzene

Benzene

SCHEMBL19253562

Nc1nc(N)nc(N)n1.c1ccccc1

nearest known ligand 0.58

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 4/20 0.58
ADORA1 P30542 3/20 0.58
POLB P06746 1/20 0.58
ADORA3 P0DMS8 1/20 0.58
ADORA2B P29275 1/20 0.58
DCPS Q96C86 1/20 0.46
RAB9A P51151 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
NPC1 O15118 2/20 0.44
HSP90AA1 P07900 2/20 0.44
CASP1 P29466 1/20 0.42
CYP1A2 P05177 2/20 0.42
NUDT1 P36639 2/20 0.42
KDM4E B2RXH2 2/20 0.42
ALOX15 P16050 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
ALDH1A1 P00352 1/20 0.42
HPGD P15428 1/20 0.42
HSD17B10 Q99714 1/20 0.42
HSP90AB1 P08238 1/20 0.39

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
SCHEMBL8356506 0.85 CASP1 (0.50) ADORA2AADORA1POLBADORA3ADORA2B
SCHEMBL29876207 0.85
SCHEMBL9579151 0.85 CASP1 (0.50) ADORA2AADORA1POLBADORA3ADORA2B
SCHEMBL175612 0.85 CASP1 (0.50) ADORA2AADORA1POLBADORA3ADORA2B
SCHEMBL9583239 0.85 CASP1 (0.50) ADORA2AADORA1POLBADORA3ADORA2B
SCHEMBL29900242 0.85
SCHEMBL29485005 0.85
SCHEMBL8465809 0.85 CASP1 (0.50) ADORA2AADORA1POLBADORA3ADORA2B
SCHEMBL25853 0.85
Pyridine SCHEMBL18628593 0.83 TSHR (0.56) ADORA2AADORA1POLBADORA3ADORA2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105669943-A Preparation method of halogen-free flame retardant and application of halogen-free flame retardant to rigid polyurethane foam 同济大学 2016-06-15 CN claimed
US-10113081-B2 Water dilutable polyvinyl fluoride paint and coating and method for manufacturing the same GRAND TEK ADVANCE MATERIAL SCIENCE CO., LTD. (TW) 2018-10-30 US disclosed
CN-108688263-A A kind of production method of the compound crown wall plate of fast-assembling 安徽扬子地板股份有限公司 2018-10-23 CN disclosed
US-20170240761-A1 WATER DILUTABLE POLYVINYL FLUORIDE PAINT AND COATING AND METHOD FOR MANUFACTURING THE SAME GRAND TEK ADVANCE MATERIAL SCIENCE CO., LTD. (TW) 2017-08-24 US disclosed
CN-1876638-A Process for preparing benzoguanamine SHANGHAI COATING CO LTD SHANGH (CN) 2006-12-13 CN disclosed