SCHEMBL9020977

SCHEMBL9020977

Cc1ccccc1Oc1ccc(OCCCn2cccn2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.44
LMNA P02545 2/20 0.44
KMT2A Q03164 2/20 0.44
MAPK1 P28482 1/20 0.44
ALDH1A1 P00352 2/20 0.43
CACNA1B Q00975 3/20 0.43
QPCT Q16769 1/20 0.42
DRD2 P14416 2/20 0.41
DRD4 P21917 2/20 0.41
DRD3 P35462 1/20 0.41
THRB P10828 1/20 0.41
LTA4H P09960 2/20 0.41
CYP2C19 P33261 2/20 0.41
CYP2D6 P10635 1/20 0.41
KDM4E B2RXH2 1/20 0.40
MAPT P10636 1/20 0.40
IDO1 P14902 1/20 0.40
HTT P42858 1/20 0.40
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39

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
SCHEMBL9021032 0.84 LTA4H (0.56) MEN1LMNAKMT2AALDH1A1CACNA1B
SCHEMBL15061998 0.79 IDO1 (0.55) MEN1LMNAKMT2AMAPK1ALDH1A1
SCHEMBL9020973 0.79 KMT2A (0.52) KMT2AALDH1A1CACNA1BQPCTDRD2
SCHEMBL10786354 0.76 ALDH1A1 (0.49) MEN1LMNAKMT2AALDH1A1DRD2
SCHEMBL16417745 0.76 MEN1 (0.59) MEN1LMNAKMT2AALDH1A1THRB
SCHEMBL9723089 0.75 ALDH1A1 (0.42) MEN1LMNAKMT2AALDH1A1CACNA1B
SCHEMBL7626009 0.75 MAPT (0.54) MEN1LMNAKMT2AALDH1A1THRB
SCHEMBL9020798 0.73 DRD2 (0.50) MEN1KMT2AALDH1A1CACNA1BDRD2
SCHEMBL15918573 0.72 CYP19A1 (0.59) MEN1LMNAKMT2AMAPK1ALDH1A1
SCHEMBL9459912 0.72 TSHR (0.46) MEN1LMNAKMT2AALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0376598-B1 Pyrazole compounds, and their production and use SUMITOMO CHEMICAL CO (JP) 1996-02-21 EP disclosed