SCHEMBL11277555

SCHEMBL11277555

O=c1c(Cl)c(Cl)cnn1-c1cc(C(F)(F)F)cc(C(F)(F)F)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPBWR1 P48145 5/20 0.60
MCHR1 Q99705 4/20 0.60
RAB9A P51151 6/20 0.55
NPC1 O15118 5/20 0.55
ALDH1A1 P00352 4/20 0.55
HTT P42858 4/20 0.55
PAX8 Q06710 3/20 0.55
SMN1; SMN2 Q16637 3/20 0.55
MAPT P10636 3/20 0.55
S1PR4 O95977 2/20 0.55
S1PR1 P21453 2/20 0.55
XBP1 P17861 2/20 0.55
MITF O75030 2/20 0.55
THRB P10828 1/20 0.55
KMT2A Q03164 2/20 0.49
CA12 O43570 1/20 0.48
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
CA9 Q16790 1/20 0.48
ACHE P22303 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
SCHEMBL3037242 0.85 NPC1 (0.64) NPBWR1MCHR1RAB9ANPC1ALDH1A1
SCHEMBL11280245 0.85 NPBWR1 (0.51) NPBWR1MCHR1RAB9ANPC1ALDH1A1
SCHEMBL13219468 0.84 ACHE (0.57) NPBWR1MCHR1RAB9ANPC1ALDH1A1
SCHEMBL4175570 0.84 RAB9A (0.64) NPBWR1MCHR1RAB9ANPC1ALDH1A1
SCHEMBL17074612 0.81 RAB9A (0.59) NPBWR1MCHR1RAB9ANPC1ALDH1A1
SCHEMBL11730032 0.79 NPBWR1 (0.52) NPBWR1MCHR1RAB9ANPC1ALDH1A1
SCHEMBL11946538 0.79 RAB9A (0.60) NPBWR1MCHR1RAB9ANPC1ALDH1A1
SCHEMBL11205040 0.78 KMT2A (0.65) RAB9ANPC1ALDH1A1HTTPAX8
SCHEMBL11732428 0.78 RAB9A (0.48) NPBWR1MCHR1RAB9ANPC1ALDH1A1
SCHEMBL11735456 0.78 NPC1 (0.55) NPBWR1MCHR1RAB9ANPC1ALDH1A1

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
US-4366155-A 1-Benzoyl-3-(6-oxopyridazinyl)ureas, compositions, and insecticidal method ELI LILLY AND COMPANY (US) 1982-12-28 US disclosed
EP-0063413-A1 1-Benzoyl-3-(heterocyclic)ureas, compositions, and insecticidal method ELI LILLY AND COMPANY (US) 1982-10-27 EP disclosed
US-4002751-A SLEEP INDUCERS, CNS DEPRESSANTS SANDOZ, INC. (US) 1977-01-11 US disclosed