SCHEMBL20163213

SCHEMBL20163213

N=C(Nc1ccccc1)Nc1ccccc1.N=C(Nc1ccccc1)Nc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 4/20 0.55
TAS2R38 P59533 3/20 0.55
ALDH1A1 P00352 3/20 0.55
TP53 P04637 2/20 0.55
TSHR P16473 2/20 0.55
EPHX1 P07099 1/20 0.55
EPHX2 P34913 1/20 0.55
CDK9 P50750 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
CLK4 Q9HAZ1 1/20 0.55
CYP3A4 P08684 1/20 0.55
GAA P10253 2/20 0.50
KMT2A Q03164 2/20 0.50
MEN1 O00255 1/20 0.50
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
NOX1 Q9Y5S8 1/20 0.50
TYR P14679 1/20 0.50
NAPRT Q6XQN6 1/20 0.50
POLB P06746 1/20 0.48

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
SCHEMBL35172 1.00 HSD17B10 (0.55) HSD17B10TAS2R38ALDH1A1TP53TSHR
Bromide SCHEMBL473887 0.97 TAS2R38 (0.52) HSD17B10TAS2R38ALDH1A1TP53TSHR
Fluoride SCHEMBL20815438 0.97 TAS2R38 (0.52) HSD17B10TAS2R38ALDH1A1TP53TSHR
SCHEMBL31160596 0.97 TAS2R38 (0.52) HSD17B10TAS2R38ALDH1A1TP53TSHR
Hydrochloric Acid SCHEMBL5608654 0.97 TAS2R38 (0.52) HSD17B10TAS2R38ALDH1A1TP53TSHR
Hydrochloric Acid SCHEMBL11495422 0.95 TAS2R38 (0.50) HSD17B10TAS2R38ALDH1A1TP53TSHR
Guanidine SCHEMBL9137957 0.92 ALDH1A1 (0.56) HSD17B10TAS2R38ALDH1A1TP53TSHR
SCHEMBL28711067 0.92 HSD17B10 (0.50) HSD17B10TAS2R38ALDH1A1TP53TSHR
SCHEMBL11495423 0.92 ALDH1A1 (0.48) HSD17B10TAS2R38ALDH1A1TP53TSHR
Oxalic Acid SCHEMBL30876191 0.90 SMN1; SMN2 (0.58) HSD17B10ALDH1A1TP53TSHREPHX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180142753-A1 Natural Rubber Composition for Vehicle HYUNDAI MOTOR COMPANY (KR) 2018-05-24 US claimed
US-20180142753-A1 Natural Rubber Composition for Vehicle HYUNDAI MOTOR COMPANY (KR) 2018-05-24 US disclosed
CN-104017516-B Rubber overshoes upper stretching binding agent and preparation method thereof 际华三五三九制鞋有限公司 2016-07-13 CN disclosed