SCHEMBL5797350

SCHEMBL5797350

O=C(S)NCc1ccccc1Br

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.57
RIPK1 Q13546 1/20 0.57
NPC1 O15118 2/20 0.53
RAB9A P51151 2/20 0.53
ALDH1A1 P00352 2/20 0.50
LMNA P02545 1/20 0.49
MAPT P10636 1/20 0.49
ANPEP P15144 1/20 0.49
P2RX7 Q99572 4/20 0.47
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA9 Q16790 1/20 0.44
ATG4B Q9Y4P1 1/20 0.43
MEN1 O00255 1/20 0.42

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
SCHEMBL2456852 0.82 KMT2A (0.58) KMT2ARIPK1NPC1RAB9AALDH1A1
SCHEMBL102342 0.81 RIPK1 (0.61) KMT2ARIPK1NPC1RAB9AALDH1A1
SCHEMBL30259906 0.78 RIPK1 (0.62) KMT2ARIPK1NPC1RAB9AALDH1A1
SCHEMBL2905172 0.78 KMT2A (0.77) KMT2ARIPK1ALDH1A1LMNAMAPT
SCHEMBL2904265 0.78 ANPEP (0.61) KMT2ARIPK1NPC1RAB9AALDH1A1
SCHEMBL2905338 0.78 RIPK1 (0.62) KMT2ARIPK1NPC1RAB9AALDH1A1
SCHEMBL31426228 0.78 RIPK1 (0.58) KMT2ARIPK1NPC1RAB9AALDH1A1
SCHEMBL29639573 0.78 RIPK1 (0.58) KMT2ARIPK1NPC1RAB9AALDH1A1
SCHEMBL28710986 0.78 KMT2A (0.62) KMT2ARIPK1NPC1RAB9AALDH1A1
SCHEMBL11589808 0.77 NPC1 (0.72) KMT2ANPC1RAB9AALDH1A1MEN1

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