SCHEMBL7967028

SCHEMBL7967028

C#CCc1ccc2ccccc2c1C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
ALDH1A1 P00352 2/20 0.49
GLA P06280 2/20 0.49
HPGD P15428 2/20 0.49
HSD17B10 Q99714 2/20 0.49
CYP1A2 P05177 1/20 0.49
CYP2C19 P33261 1/20 0.49
METAP2 P50579 2/20 0.46
METAP1 P53582 1/20 0.46
WDR5 P61964 1/20 0.42
LDHA P00338 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
NR4A1 P22736 1/20 0.41
NR4A2 P43354 1/20 0.41
NR4A3 Q92570 1/20 0.41
CDC25B P30305 1/20 0.40
ME2 P23368 1/20 0.40
ME1 P48163 1/20 0.40

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
SCHEMBL29913819 0.81 KDM4E (0.57) KDM4EMEN1KMT2AALDH1A1GLA
SCHEMBL897607 0.80 KDM4E (0.55) KDM4EMEN1KMT2AALDH1A1GLA
SCHEMBL10948548 0.78 KDM4E (0.53) KDM4EMEN1KMT2AALDH1A1GLA
Bicarbonate SCHEMBL28996502 0.78 TDP1 (0.58) KDM4EMEN1KMT2AHPGDCYP1A2
SCHEMBL6844838 0.78 KDM4E (0.53) KDM4EMEN1KMT2AALDH1A1GLA
Ammonia Solution, Strong SCHEMBL7720474 0.78 KDM4E (0.53) KDM4EMEN1KMT2AALDH1A1GLA
SCHEMBL8574060 0.78 KDM4E (0.53) KDM4EMEN1KMT2AALDH1A1GLA
SCHEMBL2507677 0.78 KDM4E (0.53) KDM4EMEN1KMT2AALDH1A1GLA
Ammonia Solution, Strong SCHEMBL7720478 0.78 KDM4E (0.53) KDM4EMEN1KMT2AALDH1A1GLA
SCHEMBL8463438 0.77 MEN1 (0.49) KDM4EMEN1KMT2AALDH1A1GLA

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
US-6277867-B1 SYNERGISTIC MIXTURES CHINOIN GYOGYSZER ES VEGYESZETI (HU) 2001-08-21 US disclosed