SCHEMBL5597633

SCHEMBL5597633

O=C1CN(C(=O)Nc2cc(C3CC3)n[nH]2)c2ccccc2N1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.49
CASP3 P42574 1/20 0.48
CASP2 P42575 1/20 0.48
HTT P42858 1/20 0.46
MEN1 O00255 3/20 0.46
POLB P06746 2/20 0.45
ALDH1A1 P00352 2/20 0.45
LMNA P02545 2/20 0.45
NPSR1 Q6W5P4 1/20 0.45
TSHR P16473 1/20 0.45
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
ATM Q13315 1/20 0.44
GAA P10253 1/20 0.43

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
SCHEMBL27584805 0.74 LMNA (0.43) KMT2ACASP3CASP2HTTMEN1
SCHEMBL24064638 0.71 KMT2A (0.59) KMT2ACASP3CASP2HTTMEN1
SCHEMBL5597607 0.70 RAB9A (0.53) KMT2ACASP3MEN1POLBALDH1A1
SCHEMBL24064732 0.70 KMT2A (0.58) KMT2ACASP3CASP2HTTMEN1
SCHEMBL2920986 0.69 CASP3 (0.70) KMT2ACASP3CASP2HTTMEN1
SCHEMBL5867670 0.69 CCNA2 (0.59) RAB9A
SCHEMBL5597942 0.68 TP53 (0.47) KMT2AHTTMEN1ALDH1A1LMNA
SCHEMBL5597645 0.68 NPC1 (0.45) KMT2AHTTMEN1POLBALDH1A1
SCHEMBL2798583 0.68 HTT (0.69) KMT2ACASP3CASP2HTTMEN1
SCHEMBL29897959 0.68 HTT (0.69) KMT2ACASP3CASP2HTTMEN1

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