SCHEMBL5795605

SCHEMBL5795605

O=C(S)NCc1cccc(Cl)c1F

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 4/20 0.51
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
CFD P00746 3/20 0.43
ALDH1A1 P00352 1/20 0.42
CD38 P28907 1/20 0.42
TP53 P04637 1/20 0.42
FPR3 P25089 1/20 0.42
FPR2 P25090 1/20 0.42
CASR P41180 1/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 1/20 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
SCHEMBL16396429 0.85 P2RX7 (0.55) P2RX7NPC1RAB9ACFDALDH1A1
SCHEMBL23368468 0.83 P2RX7 (0.54) P2RX7NPC1RAB9ACFDALDH1A1
SCHEMBL28803282 0.83 P2RX7 (0.51) P2RX7NPC1RAB9ACFDALDH1A1
SCHEMBL5798126 0.83 NPC1 (0.53) P2RX7NPC1RAB9ASMN1; SMN2
SCHEMBL11589808 0.82 NPC1 (0.72) NPC1RAB9AALDH1A1CASRMEN1
SCHEMBL19208424 0.82 P2RX7 (0.56) P2RX7NPC1RAB9ACFDALDH1A1
SCHEMBL19208309 0.81 P2RX7 (0.55) P2RX7NPC1RAB9ACFDTP53
SCHEMBL18967804 0.81 P2RX7 (0.58) P2RX7NPC1RAB9ACFDALDH1A1
SCHEMBL19208558 0.81 P2RX7 (0.55) P2RX7NPC1RAB9ACFDMEN1
SCHEMBL5797618 0.80 P2RX7 (0.53) P2RX7NPC1RAB9A

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
WO-2006037468-A1 HIV REVERSE TRANSCRIPTASE INHIBITORS ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P ANGELETTI SPA (IT) 2006-04-13 WO claimed