SCHEMBL4057261

SCHEMBL4057261

CC(C)(C)[C@H](N)C(=O)NCc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.54
RIPK1 Q13546 1/20 0.53
LMNA P02545 1/20 0.50
RAB9A P51151 1/20 0.50
MME P08473 1/20 0.50
MMP8 P22894 1/20 0.50
ALDH1A1 P00352 2/20 0.49
MEN1 O00255 2/20 0.49
CA12 O43570 1/20 0.49
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
CA3 P07451 1/20 0.49
CA4 P22748 1/20 0.49
CA6 P23280 1/20 0.49
CA5A P35218 1/20 0.49
CA7 P43166 1/20 0.49
CACNA1C Q13936 1/20 0.49
SCN9A Q15858 1/20 0.49
CA9 Q16790 1/20 0.49
CA13 Q8N1Q1 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
SCHEMBL4057267 1.00 KMT2A (0.54) KMT2ARIPK1LMNARAB9AMME
SCHEMBL13946518 1.00 KMT2A (0.54) KMT2ARIPK1LMNARAB9AMME
SCHEMBL15623829 0.89 FNTA (0.45) KMT2ALMNAALDH1A1MEN1OPRK1
SCHEMBL13690882 0.85 EPHX2 (0.54) KMT2AMEN1CA1CA2CA7
SCHEMBL13690868 0.84 NPC1 (0.56) KMT2ARAB9AMMP8ALDH1A1MEN1
SCHEMBL13690884 0.84 LMNA (0.56) LMNARAB9AALDH1A1CYP3A4MAPT
SCHEMBL15680216 0.83 CYP1A2 (0.46) OPRK1CYP1A2CYP2D6CYP2C9TSHR
SCHEMBL13690886 0.82 PKM (0.64) KMT2ALMNAALDH1A1CYP3A4SMN1; SMN2
SCHEMBL13690869 0.81 KMT2A (0.66) KMT2ARAB9AMMP8ALDH1A1CYP2D6
SCHEMBL4743536 0.81 KMT2A (0.59) KMT2AMMEMMP8ALDH1A1MEN1

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
WO-2009106980-A2 INDAZOLE DERIVATIVES PFIZER INC. (US) 2009-09-03 WO disclosed
WO-2009106980-A2 INDAZOLE DERIVATIVES PFIZER INC. (US) 2009-09-03 WO disclosed