SCHEMBL9238567

SCHEMBL9238567

Cc1ccccc1-n1nc(-c2ccc(OCC(C)CN(C)C)cc2)c2cccnc21

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
PTGER1 P34995 1/20 0.34
CDK2 P24941 2/20 0.34
CDK4 P11802 1/20 0.34
MAPT P10636 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
TP53 P04637 1/20 0.33
SLC16A3 O15427 1/20 0.33
SLC16A1 P53985 1/20 0.33
PSMB5 P28074 3/20 0.32
MDM2 Q00987 1/20 0.32
MCL1 Q07820 1/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32
PSMB1 P20618 2/20 0.32
CCNA2 P20248 1/20 0.31
KAT2B Q92831 1/20 0.31
TSHR P16473 1/20 0.31

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
SCHEMBL9876954 0.86 CDK2 (0.39) MEN1KMT2ACDK2CDK4L3MBTL1
SCHEMBL9877611 0.86 CCNA2 (0.41) MEN1KMT2APTGER1CDK2CDK4
SCHEMBL9235047 0.84 LSS (0.46) KDM4EALDH1A1
SCHEMBL9236551 0.84 GAA (0.35) MEN1KMT2ACDK2MAPTTP53
SCHEMBL9876520 0.80 PTGER1 (0.38) MEN1KMT2APTGER1CDK2MAPT
Maleic Acid SCHEMBL9235074 0.80 PTGER1 (0.41) MEN1KMT2APTGER1CDK2PSMB5
Fumaric Acid SCHEMBL9235079 0.80 PTGER1 (0.41) MEN1KMT2APTGER1CDK2PSMB5
Maleic Acid SCHEMBL9234293 0.80 CCNA2 (0.36) MEN1KMT2APTGER1CDK2L3MBTL1
Fumaric Acid SCHEMBL9234296 0.80 CCNA2 (0.36) MEN1KMT2APTGER1CDK2L3MBTL1
SCHEMBL9876885 0.78 CCNA2 (0.37) MEN1KMT2ACDK2TP53CCNA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0641564-A1 OPTICALLY ACTIVE CONDENSED PYRAZOLE COMPOUND FOR USE IN TREATING THROMBOCYTOPENIA AND ERYTHROPENIA YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1995-03-08 EP disclosed
US-5006520-A Antibiotics, antitumor agents, treatment of blood disorders YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1991-04-09 US disclosed
EP-0338087-A1 FUSED PYRAZOLE COMPOUNDS, PROCESS FOR THEIR PREPARATION, AND THEIR MEDICINAL USE Yoshitomi Pharmaceutical Industries, Ltd. (JP) 1989-10-25 EP disclosed