SCHEMBL9727631

SCHEMBL9727631

Nc1ccc(-c2ncc(C(F)(F)F)cc2Cl)cc1O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.61
SMN1; SMN2 Q16637 4/20 0.61
KDM4E B2RXH2 4/20 0.61
POLB P06746 2/20 0.61
RAB9A P51151 6/20 0.51
NPC1 O15118 5/20 0.51
MAPT P10636 1/20 0.51
HTT P42858 1/20 0.51
MAPK1 P28482 1/20 0.48
RXFP1 Q9HBX9 1/20 0.48
PKM P14618 1/20 0.44
CYP3A4 P08684 2/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2C19 P33261 1/20 0.44
GCK P35557 1/20 0.44
GCKR Q14397 1/20 0.44
PLAU P00749 1/20 0.43
ALOX15 P16050 1/20 0.43
HSD17B10 Q99714 1/20 0.43
GAA P10253 2/20 0.41

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
SCHEMBL6176528 0.89 ALDH1A1 (0.61) ALDH1A1SMN1; SMN2KDM4EPOLBRAB9A
SCHEMBL6176174 0.87 ALDH1A1 (0.57) ALDH1A1SMN1; SMN2KDM4EPOLBRAB9A
SCHEMBL10757128 0.87 ALDH1A1 (0.57) ALDH1A1SMN1; SMN2KDM4EPOLBRAB9A
SCHEMBL8006677 0.87 ALDH1A1 (0.66) ALDH1A1SMN1; SMN2KDM4EPOLBRAB9A
SCHEMBL11558383 0.86 ALDH1A1 (0.56) ALDH1A1SMN1; SMN2KDM4EPOLBRAB9A
SCHEMBL6173806 0.84 ALDH1A1 (0.66) ALDH1A1SMN1; SMN2KDM4EPOLBRAB9A
SCHEMBL2149591 0.83 ALDH1A1 (0.54) ALDH1A1SMN1; SMN2KDM4EPOLBRAB9A
SCHEMBL10963741 0.82 ALDH1A1 (0.55) ALDH1A1SMN1; SMN2KDM4EPOLBRAB9A
SCHEMBL6977861 0.81 ALDH1A1 (0.60) ALDH1A1SMN1; SMN2KDM4EPOLBRAB9A
SCHEMBL10376457 0.81 CYP3A4 (0.50) ALDH1A1SMN1; SMN2KDM4EPOLBMAPK1

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
US-5132314-A For administration to mammals, anthranilic acid derivatives CIBA-GEIGY CORPORATION (US) 1992-07-21 US disclosed
US-5081125-A Substituted anthranilic acid derivatives CIBA-GEIGY CORPORATION (US) 1992-01-14 US disclosed
EP-0420804-A2 Anthelmintic compounds CIBA-GEIGY AG (CH) 1991-04-03 EP disclosed
US-4173637-A N-Benzoyl-N'-pyridyloxy phenyl urea and insecticidal compositions thereof ISHIHARA SANGYO KAISHA LTD. (JP) 1979-11-06 US disclosed