SCHEMBL17227470

SCHEMBL17227470

CNCc1cccc(Oc2ccc(OC=N)cc2)c1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.50
▸ ALDH1A1 P00352 2/20 0.50
▸ HTT P42858 1/20 0.50
▸ SMN1; SMN2 Q16637 1/20 0.50
▸ MEN1 O00255 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ FFAR1 O14842 10/20 0.42
▸ MMP13 P45452 1/20 0.40
▸ NOS1 P29475 2/20 0.40
▸ NOS3 P29474 1/20 0.40
▸ CHRM2 P08172 1/20 0.40
▸ CHRM1 P11229 1/20 0.40
▸ CHRM3 P20309 1/20 0.40
▸ PRMT6 Q96LA8 1/20 0.39
▸ GNA15 P30679 1/20 0.39
▸ PTGER3 P43115 1/20 0.39
▸ FFAR4 Q5NUL3 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ HTR7 P34969 1/20 0.38

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
SCHEMBL1351804 0.84 KDM4E (0.62) KDM4EALDH1A1HTTSMN1; SMN2MEN1
SCHEMBL13948896 0.83 ALDH1A1 (0.70) KDM4EALDH1A1HTTSMN1; SMN2MEN1
SCHEMBL13948897 0.83 MMP13 (0.56) KDM4EALDH1A1HTTSMN1; SMN2MEN1
SCHEMBL13948890 0.81 ALDH1A1 (0.55) KDM4EALDH1A1HTTSMN1; SMN2MEN1
SCHEMBL23229951 0.78 PRMT6 (0.59) KDM4EALDH1A1HTTSMN1; SMN2MEN1
SCHEMBL24061764 0.78 CHRM2 (0.60) KDM4EALDH1A1HTTSMN1; SMN2MEN1
SCHEMBL13969804 0.78 KDM4E (0.48) KDM4EALDH1A1HTTSMN1; SMN2MEN1
SCHEMBL29370584 0.73 CHRM2 (0.68) KDM4EALDH1A1HTTSMN1; SMN2MEN1
SCHEMBL297410 0.73 CHRM2 (0.68) KDM4EALDH1A1HTTSMN1; SMN2MEN1
SCHEMBL13948894 0.73 MRGPRX4 (0.52) KDM4EMEN1KMT2APRMT6

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-1720841-B1 QUINAZOLINE DERIVATIVES AND THERAPEUTIC USE THEREOF REXAHN PHARMACEUTICALS INC (US) 2015-11-04 — — EP disclosed
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