SCHEMBL11095111

SCHEMBL11095111

Cc1cc(C(F)(F)F)ccc1NC(=N)NC(N)=O

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 6/20 0.45
GAA P10253 1/20 0.43
SLC1A3 P43003 1/20 0.42
SLC1A2 P43004 1/20 0.42
SLC1A1 P43005 1/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
MAPT P10636 1/20 0.42
HTT P42858 1/20 0.42
RAB9A P51151 1/20 0.42
POLB P06746 1/20 0.41
KDM4E B2RXH2 2/20 0.39
TAS2R14 Q9NYV8 1/20 0.39
CHIT1 Q13231 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
SCN9A Q15858 1/20 0.39
CFTR P13569 1/20 0.38
ALDH1A1 P00352 1/20 0.38
CYP1A2 P05177 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
SCHEMBL11250969 0.90 TAS2R14 (0.47) KIF11GAAMEN1KMT2AMAPT
SCHEMBL11095537 0.87 KIF11 (0.59) KIF11MEN1KMT2AKDM4E
SCHEMBL11255374 0.86 KIF11 (0.43) KIF11MEN1KMT2AMAPTKDM4E
SCHEMBL11580545 0.84 ALDH1A1 (0.55) KIF11MEN1KMT2AMAPTALDH1A1
SCHEMBL11579884 0.84 KIF11 (0.44) KIF11MEN1KMT2AMAPTKDM4E
SCHEMBL11254202 0.82 ALDH1A1 (0.46) MEN1KMT2AMAPTHTTRAB9A
SCHEMBL11255956 0.82 MEN1 (0.42) GAASLC1A3SLC1A2SLC1A1MEN1
SCHEMBL11579511 0.82 MEN1 (0.56) MEN1KMT2AHTTRAB9APOLB
SCHEMBL23752446 0.82 ALDH1A1 (0.57) GAAMEN1KMT2AMAPTALDH1A1
SCHEMBL11877833 0.82 KIF11 (0.43) KIF11GAASLC1A3SLC1A2SLC1A1

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-4446152-A SUBSTITUTED PHENYLAMIDINOUREA WILLIAM H. RORER, INC. (US) 1984-05-01 US disclosed
US-4326074-A ANTIDIARRHEA AGENTS WILLIAM H. RORER, INC. (US) 1982-04-20 US disclosed
US-4115564-A Treatment of diarrhea with amidinoureas WILLIAM H. RORER, INC. (US) 1978-09-19 US disclosed
US-4088785-A HYPOTENSIVE AGENTS WILLIAM H. RORER, INC. (US) 1978-05-09 US disclosed