SCHEMBL10616638

SCHEMBL10616638

C=CCc1ccc2ccc(C)nc2c1O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 1/20 0.45
RAB9A P51151 1/20 0.45
CCR5 P51681 1/20 0.45
GABRA1 P14867 2/20 0.43
GABRB2 P47870 2/20 0.43
METAP2 P50579 1/20 0.43
KMT2A Q03164 4/20 0.39
MEN1 O00255 3/20 0.39
GAA P10253 1/20 0.38
KDM4E B2RXH2 2/20 0.37
ALDH1A1 P00352 1/20 0.37
POLB P06746 1/20 0.37
MDM2 Q00987 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
PKM P14618 1/20 0.36
MAPK1 P28482 1/20 0.36
MAPT P10636 2/20 0.36
HTT P42858 1/20 0.35
OPRK1 P41145 1/20 0.35
PARP1 P09874 1/20 0.35

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
SCHEMBL1814299 0.75 ALDH1A1 (0.47) CCR1CCR5GABRA1GABRB2METAP2
SCHEMBL18977524 0.74 LMNA (0.35) CCR1RAB9ACCR5GABRA1GABRB2
SCHEMBL15676646 0.73 GABRA1 (0.64) GABRA1GABRB2KMT2AMEN1GAA
SCHEMBL13978638 0.72 GABRA1 (0.53) GABRA1GABRB2KMT2AMEN1GAA
SCHEMBL11686108 0.71 TYR (0.55) CCR1RAB9ACCR5METAP2KMT2A
SCHEMBL23854314 0.71 GABRA1 (0.52) GABRA1GABRB2KMT2AMEN1GAA
SCHEMBL8098163 0.70 RAB9A (0.61) CCR1RAB9ACCR5METAP2KMT2A
SCHEMBL8887678 0.69 METAP2 (0.43) CCR1CCR5METAP2KDM4EALDH1A1
SCHEMBL8933929 0.69 CACNA1B (0.53) CCR1RAB9ACCR5METAP2KMT2A
SCHEMBL18387440 0.69 GABRA1 (0.46) RAB9AGABRA1GABRB2KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-59134780-A None JP disclosed
US-4761475-A 2,4-diaminopyrimidines substituted with heterobicyclomethyl radicals at the 5 position useful as antibacterials SCHERING-PLOUGH ANIMAL HEALTH CORPORATION 1988-08-02 US disclosed
US-4587342-A 2,4-diamino-(substituted-benzopyran(quinolyl,isoquinoly)methyl)pyrimidines useful as antibacterials SCHERING-PLOUGH ANIMAL HEALTH CORPORATION 1986-05-06 US disclosed
EP-0051879-B1 SUBSTITUTED PYRIMIDINES, THEIR SYNTHESIS AND COMPOSITIONS CONTAINING THEM, THEIR USE IN MEDICINE AND INTERMEDIATES FOR MAKING THEM THE WELLCOME FOUNDATION LIMITED (GB) 1986-02-05 EP disclosed
JP-S59134780-A 7-ALLYL-8-HYDROXYQUINOLINE DERIVATIVE UNITIKA LTD 1984-08-02 JP disclosed
EP-0051879-A2 Substituted pyrimidines, their synthesis and compositions containing them, their use in medicine and intermediates for making them THE WELLCOME FOUNDATION LIMITED (GB) 1982-05-19 EP disclosed