SCHEMBL11949404

SCHEMBL11949404

Cn1ncc(-c2nnc(-c3ccc(CC(N)=O)cc3)o2)c1COc1ccc(C(F)(F)F)cn1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
ADAMTS4 O75173 1/20 0.38
MRGPRX4 Q96LA9 1/20 0.38
ABCG2 Q9UNQ0 1/20 0.37
CARM1 Q86X55 1/20 0.36
TSPO P30536 1/20 0.35
P2RY14 Q15391 1/20 0.35
TMEM97 Q5BJF2 1/20 0.35
ALDH1A1 P00352 2/20 0.35
POLB P06746 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C19 P33261 1/20 0.35
HSD17B10 Q99714 1/20 0.35
PRKAB2 O43741 1/20 0.34
PRKAG1 P54619 1/20 0.34
PRKAA2 P54646 1/20 0.34
PRKAA1 Q13131 1/20 0.34

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
SCHEMBL11949393 0.90 MRGPRX4 (0.43) KDM4ESMN1; SMN2MEN1KMT2AADAMTS4
SCHEMBL11949391 0.90 ABCG2 (0.43) KDM4ESMN1; SMN2MEN1KMT2AABCG2
SCHEMBL11949298 0.87 STAT3 (0.40) ADAMTS4MRGPRX4CYP2C19S1PR1
SCHEMBL14973183 0.84 CA2 (0.49) KDM4ESMN1; SMN2MEN1KMT2AADAMTS4
SCHEMBL14973073 0.78 CA1 (0.44) KDM4ESMN1; SMN2MEN1KMT2AMRGPRX4
SCHEMBL11949415 0.76 HDAC4 (0.41) KDM4EMEN1KMT2AADAMTS4MRGPRX4
SCHEMBL11949435 0.76 HDAC6 (0.42) S1PR1
SCHEMBL15150652 0.75 GABRA5 (0.39) KDM4EMRGPRX4POLBRAB9AGABRA5
SCHEMBL14972940 0.74 CA2 (0.47) KDM4ESMN1; SMN2MEN1KMT2AABCG2
SCHEMBL11948291 0.74 STAT3 (0.36) KDM4EMRGPRX4RAB9AGABRA5S1PR1

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
WO-2012099200-A1 PYRAZOLE DERIVATIVE 大正製薬株式会社 (JP) 2012-07-26 WO disclosed