SCHEMBL5790150

SCHEMBL5790150

COC(OC)C(=O)c1cccc(Nc2ccccc2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RHOA P61586 1/20 0.49
RAB9A P51151 4/20 0.48
MAPK13 O15264 1/20 0.46
MAPK12 P53778 1/20 0.46
MAPK11 Q15759 1/20 0.46
MAPK14 Q16539 1/20 0.46
CDC25B P30305 2/20 0.46
MEN1 O00255 4/20 0.46
KMT2A Q03164 4/20 0.46
MAPT P10636 3/20 0.46
AKR1C3 P42330 3/20 0.46
AKR1C2 P52895 3/20 0.46
LMNA P02545 2/20 0.46
MAPK1 P28482 2/20 0.46
HSD17B10 Q99714 1/20 0.46
ALDH1A1 P00352 1/20 0.46
AR P10275 1/20 0.46
NPC1 O15118 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
CASP3 P42574 1/20 0.44

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
SCHEMBL1745412 0.80 RAB9A (0.71) RHOARAB9AMEN1KMT2AMAPT
Benzene SCHEMBL27641543 0.79 TSHR (0.52) RAB9AMEN1KMT2AMAPTLMNA
SCHEMBL28197933 0.79 TSHR (0.52) RAB9AMEN1KMT2AMAPTLMNA
SCHEMBL26712 0.79 TSHR (0.52) RAB9AMEN1KMT2AMAPTLMNA
SCHEMBL8524104 0.79 KMO (0.55) MEN1KMT2AMAPTLMNAALDH1A1
SCHEMBL30575367 0.76 KMT2A (0.71) RHOARAB9AMEN1KMT2AMAPT
SCHEMBL5608176 0.76 KMT2A (0.71) RHOARAB9AMEN1KMT2AMAPT
3-Phenylamino Benzoic Acid SCHEMBL4345076 0.76 RHOA (0.77) RHOARAB9AMAPK13MAPK12MAPK11
SCHEMBL9719861 0.75 CA12 (0.52) RAB9AMAPTAKR1C3AKR1C2ALDH1A1
SCHEMBL28233138 0.75 PARP1 (0.53) RAB9AMEN1KMT2ANPC1SMN1; SMN2

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-1638954-A1 FUSED AZOLES SUCH AS 2,5-DISUBSTITUTED BENZIMIDAZOLES, BENZOXAZOLES AND BENZOTHIAZOLES AS KINASE INHIBITORS AMGEN INC. (US) 2006-03-29 EP disclosed
WO-2004085425-A1 FUSED AZOLES SUCH AS 2,5-DISUBSTITUTED BENZIMIDAZOLES, BENZOXAZOLES AND BENZOTHIAZOLES AS KINASE INHIBITORS AMGEN INC (US) 2004-10-07 WO disclosed