SCHEMBL7746066

SCHEMBL7746066

CS(=O)(=O)c1ccc(CO/N=C2/C(=O)N(Cc3nc4ccccc4n3CCCC#N)c3ccncc32)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
POLB P06746 1/20 0.37
TSHR P16473 1/20 0.37
HTT P42858 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
KCNH2 Q12809 1/20 0.33
CYP3A4 P08684 1/20 0.33
DRD2 P14416 1/20 0.33
TBXA2R P21731 1/20 0.33
HSD17B10 Q99714 1/20 0.32
CYP1A2 P05177 1/20 0.31
CYP2C19 P33261 1/20 0.31
TUBB4A P04350 1/20 0.31
TUBB P07437 1/20 0.31
TUBA3C P0DPH7 1/20 0.31
TUBA1B P68363 1/20 0.31
TUBA4A P68366 1/20 0.31
TUBB4B P68371 1/20 0.31

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
SCHEMBL7745730 0.91 DRD2 (0.34) TP53ALDH1A1LMNAPOLBTSHR
SCHEMBL7745634 0.82 ALDH1A1 (0.37) ALDH1A1LMNAPOLBTSHRSMN1; SMN2
SCHEMBL7745443 0.77 CYP3A4 (0.37) TP53ALDH1A1POLBTSHRSMN1; SMN2
SCHEMBL7745936 0.75 TSHR (0.41) TP53ALDH1A1LMNAPOLBTSHR
SCHEMBL8366756 0.75 ALDH1A1 (0.38) TP53ALDH1A1LMNAPOLBTSHR
SCHEMBL8363973 0.74 ALDH1A1 (0.38) TP53ALDH1A1LMNAPOLBTSHR
SCHEMBL7741233 0.72 TBXA2R (0.34) TBXA2R
SCHEMBL8363907 0.72 ALDH1A1 (0.43) TP53ALDH1A1LMNAPOLBTSHR
SCHEMBL8365753 0.72 TP53 (0.42) TP53ALDH1A1LMNAPOLBTSHR
SCHEMBL7745732 0.72 TSHR (0.46) TP53ALDH1A1LMNAPOLBTSHR

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