SCHEMBL11077845

SCHEMBL11077845

Nc1cccc(-c2ncc(C(F)(F)F)cc2Cl)c1O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.54
SMN1; SMN2 Q16637 4/20 0.54
KDM4E B2RXH2 2/20 0.54
POLB P06746 2/20 0.54
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2C19 P33261 1/20 0.50
MAPT P10636 3/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
GAA P10253 1/20 0.46
RAB9A P51151 4/20 0.46
NPC1 O15118 3/20 0.45
MAPK1 P28482 1/20 0.45
RXFP1 Q9HBX9 1/20 0.45
HTT P42858 1/20 0.45
PKM P14618 1/20 0.44
PLAU P00749 1/20 0.43
GLA P06280 1/20 0.43
HPGD P15428 1/20 0.43

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
SCHEMBL10807183 0.87 ALDH1A1 (0.48) ALDH1A1SMN1; SMN2KDM4EPOLBMAPT
SCHEMBL6019991 0.87 ALDH1A1 (0.57) ALDH1A1SMN1; SMN2KDM4EPOLBCYP1A2
SCHEMBL11502178 0.85 ALDH1A1 (0.46) ALDH1A1SMN1; SMN2KDM4EPOLBMAPT
SCHEMBL9358466 0.81 ALDH1A1 (0.54) ALDH1A1SMN1; SMN2KDM4EPOLBCYP1A2
SCHEMBL11074576 0.79 RAB9A (0.42) ALDH1A1SMN1; SMN2KDM4EPOLBMAPT
SCHEMBL9358467 0.78 ALDH1A1 (0.51) ALDH1A1SMN1; SMN2KDM4EPOLBCYP1A2
SCHEMBL10397270 0.78 ALDH1A1 (0.51) ALDH1A1SMN1; SMN2KDM4EPOLBCYP1A2
SCHEMBL27437607 0.77 ALDH1A1 (0.52) ALDH1A1SMN1; SMN2KDM4EPOLBCYP1A2
SCHEMBL1416429 0.77 ALDH1A1 (0.53) ALDH1A1SMN1; SMN2KDM4EPOLBCYP1A2
SCHEMBL11014423 0.75 ALDH1A1 (0.54) ALDH1A1SMN1; SMN2KDM4EPOLBCYP1A2

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
EP-0040179-B1 PHENYLBENZOYL UREA CIBA-GEIGY AG (CH) 1984-08-29 EP disclosed
US-4418066-A PESTICIDES CIBA-GEIGY CORPORATION (US) 1983-11-29 US disclosed
EP-0040179-A2 Phenylbenzoyl urea CIBA-GEIGY AG (CH) 1981-11-18 EP disclosed