SCHEMBL9358482

SCHEMBL9358482

Cc1ccc(N)cc1Nc1ccc(C(F)(F)F)cn1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ TEAD1 P28347 1/20 0.55
▸ PTGS1 P23219 3/20 0.49
▸ POLB P06746 2/20 0.40
▸ GAA P10253 2/20 0.40
▸ XPO1 O14980 1/20 0.40
▸ TRPV1 Q8NER1 3/20 0.40
▸ RIPK2 O43353 1/20 0.40
▸ KDR P35968 1/20 0.40
▸ MAPK14 Q16539 1/20 0.40
▸ MAPK10 P53779 1/20 0.40
▸ MAPT P10636 1/20 0.39
▸ APEX1 P27695 1/20 0.39
▸ ABL1 P00519 1/20 0.39
▸ BCR P11274 1/20 0.39
▸ TAS2R14 Q9NYV8 1/20 0.39
▸ TNNI3K Q59H18 1/20 0.38
▸ SCN9A Q15858 1/20 0.38

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
SCHEMBL22719743 0.83 TEAD1 (0.60) TEAD1POLBGAAXPO1TRPV1
SCHEMBL10584876 0.83 PTGS1 (0.49) TEAD1PTGS1POLBTRPV1MAPT
SCHEMBL29505063 0.80 TEAD1 (0.52) TEAD1POLBGAAXPO1TRPV1
SCHEMBL22719666 0.80 TEAD1 (0.52) TEAD1POLBGAAXPO1TRPV1
SCHEMBL9358514 0.78 ALDH1A1 (0.50) TEAD1GAAKDRMAPTABL1
SCHEMBL10581849 0.77 ALDH1A1 (0.50) POLBGAAMAPT
SCHEMBL30114377 0.76 PTGS1 (0.60) PTGS1SCN9A
SCHEMBL24497427 0.74 TEAD1 (0.50) TEAD1PTGS1TRPV1MAPK10
SCHEMBL29648357 0.74 TEAD1 (0.50) TEAD1PTGS1TRPV1MAPK10
SCHEMBL10585521 0.74 KDM4E (0.55) PTGS1POLBGAAMAPTTNNI3K

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-0320448-A2 3-Aminobenzoyl phenyl urea CIBA-GEIGY AG (CH) 1989-06-14 — — EP claimed
EP-0320448-B1 3-Aminobenzoyl phenyl urea CIBA GEIGY AG (CH) 1994-12-28 — — EP disclosed
US-4946854-A PESTICIDES CIBA-GEIGY CORPORATION (US) 1990-08-07 — — US disclosed
EP-0320448-A2 3-Aminobenzoyl phenyl urea CIBA-GEIGY AG (CH) 1989-06-14 — — EP disclosed
Send feedback