SCHEMBL9936768

SCHEMBL9936768

NC(=O)c1ccc(N)c2c(C(N)=O)c[nH]c12

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 13/20 0.42
▸ ALDH1A1 P00352 1/20 0.41
▸ ATM Q13315 1/20 0.41
▸ PIM1 P11309 1/20 0.40
▸ PIM3 Q86V86 1/20 0.40
▸ PDPK1 O15530 1/20 0.40
▸ MAP3K5 Q99683 1/20 0.39
▸ IKBKB O14920 1/20 0.36
▸ HTR1A P08908 1/20 0.35
▸ HTR7 P34969 1/20 0.35

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
SCHEMBL19009090 0.77 BTK (0.43) BTKALDH1A1ATMPDPK1MAP3K5
SCHEMBL16339986 0.73 ALDH1A1 (0.56) BTKALDH1A1ATMPIM1PIM3
SCHEMBL16382698 0.73 BTK (0.50) BTKALDH1A1ATMPIM1PIM3
SCHEMBL18614837 0.70 ALDH1A1 (0.41) ALDH1A1ATMPIM1PIM3PDPK1
SCHEMBL9965010 0.70 BTK (0.65) BTKPDPK1
SCHEMBL16382703 0.70 BTK (0.45) BTKPDPK1MAP3K5
SCHEMBL9965016 0.70 BTK (0.49) BTK
SCHEMBL30325610 0.70 DGAT1 (0.44) BTKALDH1A1ATMIKBKBHTR1A
SCHEMBL17699610 0.69 BTK (0.50) BTKPDPK1MAP3K5
SCHEMBL7085965 0.69 PIM1 (0.56) BTKALDH1A1ATMPIM1PIM3

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
EP-2651386-A2 DYE COMPOSITION COMPRISING AT LEAST FOUR DYE PRECURSORS INCLUDING AT LEAST ONE OXIDATION BASE AND AT LEAST ONE COUPLER L'Oréal (FR) 2013-10-23 — — EP claimed
WO-2012080289-A2 DYE COMPOSITION COMPRISING AT LEAST FOUR DYE PRECURSORS INCLUDING AT LEAST ONE OXIDATION BASE AND AT LEAST ONE COUPLER L'OREAL (FR) 2012-06-21 — — WO claimed
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