SCHEMBL11420554

SCHEMBL11420554

CN1c2ccccc2Oc2cccnc21

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.43
ALDH1A1 P00352 3/20 0.43
P2RX4 Q99571 8/20 0.38
MYC P01106 1/20 0.36
HPGD P15428 2/20 0.35
ALOX15 P16050 1/20 0.35
HSD17B10 Q99714 1/20 0.35
GLA P06280 1/20 0.35
GAA P10253 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
NISCH Q9Y2I1 1/20 0.34
TP53 P04637 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
SCHEMBL21497998 0.81 NISCH (0.40) KDM4EALDH1A1NISCH
SCHEMBL20172203 0.79 P2RX4 (0.37) P2RX4SMN1; SMN2NISCHTP53
SCHEMBL31067286 0.78 KDM4E (0.55) KDM4EALDH1A1P2RX4HPGDGLA
SCHEMBL47007 0.78 KDM4E (0.55) KDM4EALDH1A1P2RX4HPGDGLA
Hydrogen Sulfide SCHEMBL28845788 0.76 KDM4E (0.53) KDM4EALDH1A1P2RX4HPGDGLA
SCHEMBL8101449 0.76 MYC (0.40) MYCGAASMN1; SMN2
SCHEMBL9102529 0.76 LMNA (0.42) ALDH1A1P2RX4SMN1; SMN2
SCHEMBL21691991 0.75 P2RX4 (0.37) ALDH1A1P2RX4HSD17B10RAB9ATP53
SCHEMBL22931992 0.75 CYP1A2 (0.37) KDM4EALDH1A1HPGDALOX15HSD17B10
SCHEMBL9100552 0.73 KDM4E (0.39) KDM4EALDH1A1P2RX4HPGDALOX15

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-4282358-A CYCLIZATION OF 2-HALOPHENOXYANILINES CIBA-GEIGY CORPORATION (US) 1981-08-04 US disclosed