SCHEMBL7744085

SCHEMBL7744085

CC(NC(=O)N(S)c1ccc(C(N)=O)cc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 2/20 0.41
TACR1 P25103 4/20 0.35
KMT2A Q03164 1/20 0.35
NPSR1 Q6W5P4 1/20 0.34
GPR139 Q6DWJ6 1/20 0.34
P2RY14 Q15391 2/20 0.34
PDE2A O00408 1/20 0.34
MAOB P27338 2/20 0.33
PHGDH O43175 1/20 0.33
FPR2 P25090 1/20 0.33
SCN9A Q15858 1/20 0.33
KCNH2 Q12809 1/20 0.33
TACR3 P29371 1/20 0.33
GAA P10253 1/20 0.33
KLRK1 P26718 1/20 0.33
MICA Q29983 1/20 0.33
RAET1L Q5VY80 1/20 0.33

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
SCHEMBL6811356 0.81 KMT2A (0.55) KMT2APHGDH
SCHEMBL6811096 0.80 ALDH1A1 (0.46) KMT2AGPR139PHGDHGAA
SCHEMBL6815444 0.79 P2RX1 (0.46) HDAC8TACR1P2RY14
SCHEMBL7946638 0.79 MTOR (0.42) KMT2AGPR139MAOB
SCHEMBL6819943 0.78 SMN1; SMN2 (0.42) KMT2AGPR139PHGDHGAA
SCHEMBL6811708 0.78 ALDH1A1 (0.47) KMT2AGAA
SCHEMBL7743482 0.78 SMN1; SMN2 (0.42) KMT2AGPR139PHGDHGAA
SCHEMBL6816712 0.78 ALDH1A1 (0.47) KMT2AGAA
SCHEMBL7737905 0.78 ALDH1A1 (0.47) KMT2AGAA
SCHEMBL3301583 0.78 TACR1 (0.52) TACR1KMT2AGPR139TACR3

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-6426355-B1 VIRICIDES; PREVENTION PRODUCTION AMERICAN HOME PRODUCTS 2002-07-30 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