SCHEMBL5597565

SCHEMBL5597565

COc1ccc(NC(=O)Nc2cc(C3CC3)n[nH]2)cc1OC

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.52
KMT2A Q03164 8/20 0.52
MEN1 O00255 7/20 0.52
QPCT Q16769 1/20 0.49
LMNA P02545 2/20 0.48
NPSR1 Q6W5P4 1/20 0.48
RAB9A P51151 2/20 0.47
HDAC1 Q13547 1/20 0.47
POLB P06746 1/20 0.47
MAPK1 P28482 2/20 0.47
NPC1 O15118 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
ALDH1A1 P00352 2/20 0.46
GAA P10253 2/20 0.46
KDM4E B2RXH2 1/20 0.46
TP53 P04637 1/20 0.46
ALOX15 P16050 1/20 0.46
HSD17B10 Q99714 1/20 0.46
TSHR P16473 1/20 0.46

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
SCHEMBL5597705 0.88 RUVBL1 (0.45) MAPTKMT2AMEN1LMNANPSR1
SCHEMBL5597609 0.86 CHEK1 (0.48) MAPTKMT2AMEN1LMNANPSR1
SCHEMBL5597681 0.83 TP53 (0.54) MAPTKMT2AMEN1LMNARAB9A
SCHEMBL5597471 0.82 ALDH1A1 (0.56) KMT2AMEN1QPCTLMNAPOLB
SCHEMBL5597515 0.81 MAPT (0.53) MAPTKMT2AMEN1NPSR1RAB9A
SCHEMBL5597685 0.80 MAOA (0.44) MAPTKMT2AMEN1ALDH1A1GAA
SCHEMBL5597734 0.80 ALDH1A1 (0.41) KMT2AMEN1RAB9APOLBNPC1
SCHEMBL5867989 0.80 ALPL (0.55) KMT2AMEN1LMNANPSR1MAPK1
SCHEMBL5597709 0.79 RAB9A (0.50) MAPTKMT2AMEN1LMNARAB9A
SCHEMBL5597942 0.79 TP53 (0.47) MAPTKMT2AMEN1LMNANPSR1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1202734-B1 3(5)-UREIDO-PYRAZOLE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS ANTITUMOR AGENTS PFIZER ITALIA SRL (IT) 2007-05-02 EP claimed
US-6387900-B1 ANTICANCER AGENTS PHARMACIA & UPJOHN S.P.A. (IT) 2002-05-14 US claimed
EP-1202734-B1 3(5)-UREIDO-PYRAZOLE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS ANTITUMOR AGENTS PFIZER ITALIA SRL (IT) 2007-05-02 EP disclosed
US-6387900-B1 ANTICANCER AGENTS PHARMACIA & UPJOHN S.P.A. (IT) 2002-05-14 US disclosed