SCHEMBL5797358

SCHEMBL5797358

OC(=S)NCc1ccccc1Br

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.50
RIPK1 Q13546 1/20 0.50
ALDH1A1 P00352 3/20 0.47
LMNA P02545 1/20 0.47
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
KDM1A O60341 1/20 0.44
MAPT P10636 1/20 0.43
ANPEP P15144 1/20 0.43
TACR1 P25103 1/20 0.41
P2RX7 Q99572 3/20 0.41
TAAR1 Q96RJ0 1/20 0.41
HPGD P15428 1/20 0.41
ALOX12 P18054 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
SCHEMBL16108114 0.82 KMT2A (0.49) KMT2ARIPK1ALDH1A1LMNANPC1
SCHEMBL20027156 0.82 ALOX12 (0.69) KMT2AALDH1A1LMNAMAPTHPGD
SCHEMBL2456852 0.80 KMT2A (0.58) KMT2ARIPK1ALDH1A1LMNANPC1
SCHEMBL20496870 0.79 RIPK1 (0.50) KMT2ARIPK1ALDH1A1NPC1RAB9A
SCHEMBL28101463 0.79 GAA (0.58) KMT2ARIPK1ALDH1A1LMNANPC1
SCHEMBL7797848 0.77 LMNA (0.47) KMT2ARIPK1ALDH1A1LMNANPC1
SCHEMBL2905172 0.76 KMT2A (0.77) KMT2ARIPK1ALDH1A1LMNAMAPT
SCHEMBL31426228 0.76 RIPK1 (0.58) KMT2ARIPK1ALDH1A1LMNANPC1
SCHEMBL4018473 0.74 KMT2A (0.49) KMT2ARIPK1ALDH1A1LMNANPC1
SCHEMBL5797350 0.74 KMT2A (0.57) KMT2ARIPK1ALDH1A1LMNANPC1

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