SCHEMBL23760602

SCHEMBL23760602

O=C1c2ccc3c4ccc5c6c(ccc(c7ccc(c2c37)C(=O)N1c1ccncc1)c64)C(O)N(c1ccncc1)C5=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.49
KDM4E B2RXH2 6/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
HPGD P15428 1/20 0.49
POLB P06746 3/20 0.41
APAF1 O14727 1/20 0.41
RECQL P46063 2/20 0.39
CASP6 P55212 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
APOBEC3A P31941 1/20 0.39
APOBEC3G Q9HC16 1/20 0.39
RAB9A P51151 5/20 0.38
NPC1 O15118 3/20 0.38
HSD17B10 Q99714 2/20 0.37
APEX1 P27695 1/20 0.36
CTDSP1 Q9GZU7 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
TP53 P04637 1/20 0.36
TSHR P16473 1/20 0.36

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
SCHEMBL21846070 0.95 KDM4E (0.54) ALDH1A1KDM4ESMN1; SMN2HPGDPOLB
SCHEMBL21677922 0.93 ALDH1A1 (0.42) ALDH1A1KDM4ESMN1; SMN2HPGDPOLB
SCHEMBL23680127 0.87 ALDH1A1 (0.46) ALDH1A1KDM4ESMN1; SMN2HPGDPOLB
SCHEMBL14767877 0.87 KDM4E (0.52) ALDH1A1KDM4ESMN1; SMN2POLBAPAF1
SCHEMBL21023279 0.87 KDM4E (0.52) ALDH1A1KDM4ESMN1; SMN2POLBAPAF1
SCHEMBL20017043 0.87 KDM4E (0.52) ALDH1A1KDM4ESMN1; SMN2POLBAPAF1
SCHEMBL14225766 0.83 KDM4E (0.62) ALDH1A1KDM4ESMN1; SMN2HPGDPOLB
SCHEMBL21658617 0.81 ALDH1A1 (0.39) ALDH1A1KDM4ESMN1; SMN2HPGDPOLB
SCHEMBL23790146 0.81 KDM4E (0.54) ALDH1A1KDM4ESMN1; SMN2POLBAPAF1
SCHEMBL23312312 0.79 ALDH1A1 (0.54) ALDH1A1KDM4ESMN1; SMN2HPGDPOLB

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-3411140-B1 METHOD FOR SEPARATING ACETYLENE FROM A GAS MIXTURE UNIV LIMERICK (IE) 2021-08-18 EP disclosed