SCHEMBL7745952

SCHEMBL7745952

CS(=O)(=O)CCCn1c(Cn2ncc(Cl)c(Cl)c2=O)nc2ccccc21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.45
SMN1; SMN2 Q16637 5/20 0.45
POLB P06746 4/20 0.45
NPSR1 Q6W5P4 4/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
BLM P54132 1/20 0.45
GPR35 Q9HC97 1/20 0.45
MITF O75030 2/20 0.44
NPC1 O15118 2/20 0.44
PAX8 Q06710 2/20 0.44
RXFP1 Q9HBX9 1/20 0.44
GPR55 Q9Y2T6 1/20 0.44
HTT P42858 5/20 0.42
ALDH1A1 P00352 4/20 0.42
LMNA P02545 2/20 0.41
CYP1A2 P05177 2/20 0.41
CYP2C19 P33261 2/20 0.41
CYP3A4 P08684 1/20 0.41
USP2 O75604 2/20 0.40

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
SCHEMBL7745960 0.89 SMN1; SMN2 (0.40) RAB9ASMN1; SMN2POLBMEN1KMT2A
SCHEMBL7745944 0.86 SMN1; SMN2 (0.36) RAB9ASMN1; SMN2POLBMEN1KMT2A
SCHEMBL7741635 0.84 NPC1 (0.43) RAB9ASMN1; SMN2POLBMEN1KMT2A
SCHEMBL18543026 0.83 RAB9A (0.52) RAB9ASMN1; SMN2POLBNPSR1MEN1
SCHEMBL7740722 0.79 MEN1 (0.54) SMN1; SMN2POLBMEN1KMT2AHTT
SCHEMBL7740409 0.77 MEN1 (0.42) SMN1; SMN2POLBMEN1KMT2AHTT
SCHEMBL7745194 0.74 SMN1; SMN2 (0.59) RAB9ASMN1; SMN2POLBNPSR1MEN1
SCHEMBL15416721 0.72 KMT2A (0.56) SMN1; SMN2POLBMEN1KMT2AHTT
SCHEMBL5858779 0.71 SLC9A1 (0.46) SMN1; SMN2MEN1KMT2AALDH1A1LMNA
SCHEMBL7745475 0.70 AKR1B1 (0.41) SMN1; SMN2POLBMEN1KMT2AHTT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6774134-B2 FOR THERAPY OF RESPIRATORY SYNCYTIAL VIRUS INFECTION BRISTOL-MYERS SQUIBB COMPANY 2004-08-10 US disclosed
US-6774134-B2 FOR THERAPY OF RESPIRATORY SYNCYTIAL VIRUS INFECTION BRISTOL-MYERS SQUIBB COMPANY 2004-08-10 US disclosed