SCHEMBL7740722

SCHEMBL7740722

CS(=O)(=O)CCCn1c(CCl)nc2ccccc21

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
TSHR P16473 2/20 0.47
CXCR4 P61073 1/20 0.47
SMN1; SMN2 Q16637 3/20 0.46
HTT P42858 2/20 0.46
ALDH1A1 P00352 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2C19 P33261 1/20 0.46
TLR8 Q9NR97 2/20 0.46
TP53 P04637 3/20 0.46
GAA P10253 1/20 0.46
USP2 O75604 2/20 0.45
LMNA P02545 1/20 0.45
MAPT P10636 1/20 0.44
POLB P06746 1/20 0.44
HPGD P15428 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
RECQL P46063 1/20 0.44

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
SCHEMBL15416721 0.92 KMT2A (0.56) MEN1KMT2ATSHRSMN1; SMN2HTT
SCHEMBL7745194 0.86 SMN1; SMN2 (0.59) MEN1KMT2ATSHRSMN1; SMN2HTT
SCHEMBL15415657 0.83 BACE1 (0.48) KMT2A
SCHEMBL29606736 0.83 BACE1 (0.48) KMT2A
SCHEMBL15908535 0.82 TBXA2R (0.37) MEN1KMT2AALDH1A1TP53LMNA
Hydrochloric Acid SCHEMBL17074940 0.82 BACE1 (0.47) KMT2A
Hydrochloric Acid SCHEMBL15904551 0.81 TBXA2R (0.36) MEN1KMT2AALDH1A1TP53LMNA
SCHEMBL6493776 0.80 JAK2 (0.39)
SCHEMBL20769851 0.80 BRD4 (0.37) MEN1KMT2ASMN1; SMN2ALDH1A1TLR8
SCHEMBL7745952 0.79 RAB9A (0.45) MEN1KMT2ATSHRSMN1; SMN2HTT

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