SCHEMBL7743967

SCHEMBL7743967

C[C@@H](NC(=S)Nc1ccc(NC(=O)c2cscn2)cc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 7/20 0.47
CYP2C8 P10632 4/20 0.47
KDR P35968 1/20 0.43
CYP2D6 P10635 3/20 0.42
PSEN1 P49768 3/20 0.42
PSEN2 P49810 3/20 0.42
APH1B Q8WW43 3/20 0.42
NCSTN Q92542 3/20 0.42
APH1A Q96BI3 3/20 0.42
PSENEN Q9NZ42 3/20 0.42
MEN1 O00255 3/20 0.41
MAPT P10636 3/20 0.41
KMT2A Q03164 3/20 0.41
ALDH1A1 P00352 1/20 0.41
GRM4 Q14833 1/20 0.40
LMNA P02545 1/20 0.39
POLB P06746 1/20 0.39
CYP3A4 P08684 1/20 0.38

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
SCHEMBL7905383 1.00 CYP2C9 (0.47) CYP2C9CYP2C8KDRCYP2D6PSEN1
SCHEMBL7908147 1.00 CYP2C9 (0.47) CYP2C9CYP2C8KDRCYP2D6PSEN1
SCHEMBL7743480 0.94 CYP2C9 (0.44) CYP2C9CYP2C8KDRCYP2D6PSEN1
SCHEMBL7712132 0.91 CYP2C9 (0.42) CYP2C9CYP2C8KDRCYP2D6PSEN1
SCHEMBL6816543 0.91 CYP2C9 (0.42) CYP2C9CYP2C8KDRCYP2D6PSEN1
SCHEMBL7737922 0.88 CYP2C9 (0.44) CYP2C9CYP2C8KDRCYP2D6PSEN1
SCHEMBL7074966 0.86 CYP2C9 (0.40) CYP2C9CYP2C8KDRCYP2D6MEN1
SCHEMBL7743932 0.85 PDE2A (0.47) CYP2C9CYP2C8CYP2D6MEN1MAPT
SCHEMBL7908437 0.85 CYP2C9 (0.43) CYP2C9CYP2C8CYP2D6MEN1MAPT
SCHEMBL7743339 0.85 F7 (0.49) CYP2C9CYP2C8CYP2D6MEN1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6197803-B1 VIRICIDES; PREVENTION REPRODUCTION AMERICAN HOME PRODUCTS CORPORATION 2001-03-06 US claimed
US-6426355-B1 VIRICIDES; PREVENTION PRODUCTION AMERICAN HOME PRODUCTS 2002-07-30 US disclosed
US-6197803-B1 VIRICIDES; PREVENTION REPRODUCTION AMERICAN HOME PRODUCTS CORPORATION 2001-03-06 US disclosed