SCHEMBL15964405

SCHEMBL15964405

c1ccc(N(c2ccc3sc4ccccc4c3c2)c2cccc3c2oc2ccccc23)cc1

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 3/20 0.36
GPR3 P46089 1/20 0.34
CYP1A2 P05177 1/20 0.32
ESR2 Q92731 2/20 0.32
ESR1 P03372 1/20 0.32
AHR P35869 1/20 0.31
PTPN7 P35236 1/20 0.31
DUSP3 P51452 1/20 0.31
PTPN12 Q05209 1/20 0.31
PTPN22 Q9Y2R2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
MAPT P10636 1/20 0.31
HPGD P15428 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
PTGIR P43119 1/20 0.30

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
SCHEMBL19801819 0.94 NPC1 (0.33) ALOX5GPR3CYP1A2AHRALDH1A1
SCHEMBL15964406 0.94 ALOX5 (0.36) ALOX5GPR3CYP1A2ESR2ESR1
SCHEMBL15964410 0.94 ALOX5 (0.36) ALOX5GPR3CYP1A2ESR2ESR1
SCHEMBL22161479 0.94 CYP1A2 (0.34) ALOX5GPR3CYP1A2ESR2ESR1
SCHEMBL22147331 0.94 CYP1A2 (0.34) ALOX5GPR3CYP1A2ESR2ESR1
SCHEMBL23328511 0.94 ALOX5 (0.38) ALOX5GPR3CYP1A2ESR2ESR1
SCHEMBL24700782 0.93 ESR2 (0.34) GPR3CYP1A2ESR2ESR1PTPN7
SCHEMBL23314448 0.92 ALOX5 (0.33) ALOX5CYP1A2
SCHEMBL17369920 0.92 ALOX5 (0.32) ALOX5
SCHEMBL17369916 0.92 ALOX5 (0.33) ALOX5

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
US-RE49237-E1 Organic electroluminescence device and electronic device IDEMITSU KOSAN CO., LTD. (JP) 2022-10-04 US disclosed
US-9397307-B2 Organic electroluminescence device and electronic device IDEMITSU KOSAN CO., LTD. (JP) 2016-07-19 US disclosed
US-9397307-B2 Organic electroluminescence device and electronic device IDEMITSU KOSAN CO., LTD. (JP) 2016-07-19 US disclosed
US-20140231769-A1 ORGANIC ELECTROLUMINESCENCE DEVICE AND ELECTRONIC DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2014-08-21 US disclosed
US-20140231769-A1 ORGANIC ELECTROLUMINESCENCE DEVICE AND ELECTRONIC DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2014-08-21 US disclosed