SCHEMBL18924759

SCHEMBL18924759

CCC(C)c1nc(-c2ccccc2)oc1C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.48
TARBP2 Q15633 2/20 0.46
RAB9A P51151 5/20 0.44
NPC1 O15118 4/20 0.44
HRH3 Q9Y5N1 1/20 0.43
HPGD P15428 4/20 0.42
PPARG P37231 4/20 0.41
PPARA Q07869 4/20 0.41
LMNA P02545 1/20 0.40
SMN1; SMN2 Q16637 5/20 0.40
POLB P06746 2/20 0.40
CASP3 P42574 1/20 0.40
SENP8 Q96LD8 1/20 0.40
SENP7 Q9BQF6 1/20 0.40
SENP6 Q9GZR1 1/20 0.40
NFKB1 P19838 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
KMT2A Q03164 2/20 0.38
ALDH1A1 P00352 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
SCHEMBL17540833 0.83 KDM4E (0.49) KDM4ETARBP2RAB9ANPC1HRH3
SCHEMBL3886258 0.80 KDM4E (0.50) KDM4ETARBP2RAB9ANPC1HRH3
SCHEMBL7737637 0.80 KDM4E (0.46) KDM4ETARBP2RAB9ANPC1HRH3
SCHEMBL10480745 0.77 SMN1; SMN2 (0.46) KDM4ETARBP2RAB9ANPC1HRH3
SCHEMBL27597513 0.76 HPGD (0.43) KDM4ETARBP2RAB9ANPC1HRH3
SCHEMBL27536014 0.75 KDM4E (0.49) KDM4ETARBP2RAB9ANPC1HRH3
SCHEMBL4389204 0.75 PPARG (0.47) KDM4ETARBP2RAB9ANPC1HRH3
SCHEMBL27735469 0.75 KDM4E (0.52) KDM4ETARBP2HPGDPPARGPPARA
SCHEMBL5215263 0.75 RAB9A (0.43) KDM4ETARBP2RAB9ANPC1HRH3
SCHEMBL4929594 0.73 KDM4E (0.47) KDM4ETARBP2RAB9ANPC1HRH3

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9670157-B2 Benzylamine derivatives KALVISTA PHARMACEUTICALS LIMITED (GB) 2017-06-06 US disclosed