SCHEMBL10544372

SCHEMBL10544372

CC(=O)c1ccc(C(=O)N(C)Cc2cccs2)o1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ RIPK1 Q13546 1/20 0.51
▸ TP53 P04637 2/20 0.48
▸ LMNA P02545 1/20 0.48
▸ HSD11B1 P28845 8/20 0.48
▸ CYP3A4 P08684 3/20 0.47
▸ AR P10275 1/20 0.46
▸ RAB9A P51151 2/20 0.46
▸ CYP2D6 P10635 1/20 0.46
▸ CYP2C9 P11712 1/20 0.46
▸ TRPM8 Q7Z2W7 1/20 0.46
▸ NPC1 O15118 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ PDK1 Q15118 1/20 0.43
▸ LIPE Q05469 1/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.43

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
SCHEMBL10547048 0.85 TP53 (0.48) RIPK1TP53LMNAHSD11B1CYP3A4
SCHEMBL21400322 0.78 RIPK1 (0.62) RIPK1HSD11B1CYP3A4RAB9ACYP2D6
SCHEMBL10548973 0.75 RIPK1 (0.53) RIPK1LMNARAB9ASMN1; SMN2
SCHEMBL10543666 0.75 ALDH1A1 (0.55) LMNARAB9ANPC1SMN1; SMN2
SCHEMBL6122487 0.73 RIPK1 (0.60) RIPK1HSD11B1CYP3A4RAB9ACYP2D6
SCHEMBL10549243 0.73 ALDH1A1 (0.44) LMNARAB9ANPC1SMN1; SMN2LIPE
SCHEMBL27677131 0.73 RIPK1 (0.56) RIPK1HSD11B1CYP3A4RAB9ACYP2D6
SCHEMBL12313812 0.72 RIPK1 (0.63) RIPK1HSD11B1CYP3A4RAB9ACYP2D6
SCHEMBL10547820 0.72 PDK1 (0.47) LMNARAB9ATRPM8NPC1PDK1
SCHEMBL13870657 0.71 RIPK1 (0.57) RIPK1LMNAHSD11B1CYP3A4RAB9A

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-4814341-A HISTAMINE H2 ANTAGONISTS REITER LAWRENCE A (US) 1989-03-21 — — US disclosed
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