SCHEMBL13624994

SCHEMBL13624994

COc1cccc(N/C(N)=C(/C=N)C(N)=O)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 3/20 0.52
TSHR P16473 1/20 0.52
RXFP1 Q9HBX9 1/20 0.52
SMN1; SMN2 Q16637 4/20 0.52
LMNA P02545 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
PLAU P00749 1/20 0.52
RAB9A P51151 6/20 0.51
NPC1 O15118 5/20 0.51
ALDH1A1 P00352 3/20 0.51
NLRP3 Q96P20 1/20 0.51
PKM P14618 1/20 0.51
KMT2A Q03164 1/20 0.51
SIGMAR1 Q99720 1/20 0.50
MMP1 P03956 1/20 0.49
MMP2 P08253 1/20 0.49
MMP9 P14780 1/20 0.49
MAPT P10636 1/20 0.49
HTT P42858 1/20 0.49
MITF O75030 1/20 0.49

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
SCHEMBL13624774 0.82 HSD17B10 (0.53) RXFP1SMN1; SMN2RAB9AALDH1A1PKM
SCHEMBL23749844 0.82 HSD17B10 (0.53) RXFP1SMN1; SMN2RAB9AALDH1A1PKM
SCHEMBL13624876 0.79 TGM2 (0.51) TP53TSHRSMN1; SMN2LMNARAB9A
SCHEMBL13624691 0.78 SIGMAR1 (0.49) SMN1; SMN2LMNARAB9ANPC1ALDH1A1
SCHEMBL30233708 0.78 TP53 (0.62) TP53TSHRRXFP1SMN1; SMN2LMNA
SCHEMBL14981678 0.78 GAA (0.46) TP53TSHRSMN1; SMN2L3MBTL1PLAU
SCHEMBL166106 0.78 TP53 (0.66) TP53TSHRRXFP1SMN1; SMN2LMNA
SCHEMBL14981720 0.76 GPR35 (0.35) TP53TSHRSMN1; SMN2RAB9ANPC1
Bicarbonate SCHEMBL8492631 0.76 NPC1 (0.61) TP53TSHRRXFP1SMN1; SMN2LMNA
Bicarbonate SCHEMBL27820322 0.76 NPC1 (0.61) TP53TSHRRXFP1SMN1; SMN2LMNA

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
WO-2009136995-A2 INHIBITORS OF SYK PROTEIN KINASE PORTOLA PHARMACEUTICALS, INC. (US) 2009-11-12 WO disclosed