SCHEMBL9192159

SCHEMBL9192159

O=C(Nc1cccnc1)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 5/20 0.61
▸ MEN1 O00255 4/20 0.61
▸ AR P10275 4/20 0.57
▸ LMNA P02545 3/20 0.57
▸ CYP3A4 P08684 2/20 0.57
▸ HTT P42858 2/20 0.57
▸ CES2 O00748 1/20 0.57
▸ ABCB11 O95342 1/20 0.57
▸ ALDH1A1 P00352 1/20 0.57
▸ CYP1A2 P05177 1/20 0.57
▸ GLA P06280 1/20 0.57
▸ ADORA3 P0DMS8 1/20 0.57
▸ CHRM1 P11229 1/20 0.57
▸ CYP2C9 P11712 1/20 0.57
▸ ALOX15 P16050 1/20 0.57
▸ TSHR P16473 1/20 0.57
▸ TBXA2R P21731 1/20 0.57
▸ AADAC P22760 1/20 0.57
▸ MAPK1 P28482 1/20 0.57
▸ CYP2C19 P33261 1/20 0.57

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
SCHEMBL17664539 0.82 KMT2A (0.60) KMT2AMEN1ARLMNACYP3A4
SCHEMBL9190713 0.81 KDR (0.72) KMT2AMEN1LMNAHTTALDH1A1
SCHEMBL4959126 0.77 AR (0.71) ARLMNACYP3A4HTTCES2
SCHEMBL4959122 0.77 AR (0.71) ARLMNACYP3A4HTTCES2
SCHEMBL14357589 0.77 AR (0.70) ARCYP3A4PGR
SCHEMBL14357592 0.77 AR (0.72) ARCYP3A4PGR
SCHEMBL3180203 0.76 KMT2A (1.00) KMT2AMEN1LMNAHTTALDH1A1
SCHEMBL6815986 0.76 AR (0.73) ARLMNACYP3A4HTTCES2
SCHEMBL8373850 0.76 KMT2A (0.75) KMT2AMEN1ALDH1A1MAPK1SMN1; SMN2
SCHEMBL22809342 0.76 AR (0.69) ARLMNACYP3A4HTTCES2

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-0682656-A1 USE OF PHENYL HETEROARYL UREAS AS 5HT 2C? RECEPTOR ANTAGONISTS AND UREA COMPOUNDS SMITHKLINE BEECHAM PLC (GB) 1995-11-22 — — EP claimed
WO-1994018170-A1 USE OF PHENYL HETEROARYL UREAS AS 5HT2C RECEPTOR ANTAGONISTS AND UREA COMPOUNDS SMITHKLINE BEECHAM PLC (GB) 1994-08-18 — — WO claimed
EP-0682656-A1 USE OF PHENYL HETEROARYL UREAS AS 5HT 2C? RECEPTOR ANTAGONISTS AND UREA COMPOUNDS SMITHKLINE BEECHAM PLC (GB) 1995-11-22 — — EP disclosed
WO-1994018170-A1 USE OF PHENYL HETEROARYL UREAS AS 5HT2C RECEPTOR ANTAGONISTS AND UREA COMPOUNDS SMITHKLINE BEECHAM PLC (GB) 1994-08-18 — — WO disclosed
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