SCHEMBL21101501

SCHEMBL21101501

c1ccc2c(c1)nc1[nH]c3cccnc3n12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.46
ALDH1A1 P00352 5/20 0.46
HPGD P15428 4/20 0.46
SMN1; SMN2 Q16637 4/20 0.46
RAB9A P51151 3/20 0.43
LMNA P02545 2/20 0.43
HSD17B10 Q99714 2/20 0.43
NPC1 O15118 2/20 0.43
TP53 P04637 1/20 0.43
GAA P10253 1/20 0.43
MAPT P10636 1/20 0.43
PKM P14618 1/20 0.43
GABRP O00591 1/20 0.42
GABRD O14764 1/20 0.42
GABRA1 P14867 1/20 0.42
GABRB1 P18505 1/20 0.42
GABRG2 P18507 1/20 0.42
GABRB3 P28472 1/20 0.42
GABRA5 P31644 1/20 0.42
GABRA3 P34903 1/20 0.42

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
SCHEMBL17554528 0.88 HPGD (0.41) KDM4EALDH1A1HPGDSMN1; SMN2RAB9A
SCHEMBL21208525 0.81 PDE2A (0.52) KDM4EALDH1A1HPGDMAPTPKM
SCHEMBL1698065 0.80 KDM4E (0.53) KDM4EALDH1A1HPGDSMN1; SMN2RAB9A
SCHEMBL23504053 0.79 KDM4E (0.47) KDM4EALDH1A1HPGDSMN1; SMN2RAB9A
SCHEMBL21101673 0.78 ALDH1A1 (0.48) KDM4EALDH1A1HPGDSMN1; SMN2RAB9A
SCHEMBL20929343 0.74 KDM4E (0.57) KDM4EALDH1A1HPGDSMN1; SMN2RAB9A
SCHEMBL23503593 0.73 KDM4E (0.40) KDM4EALDH1A1HPGDGAAMAPT
Carbazole SCHEMBL16433320 0.73 ALDH1A1 (0.47) KDM4EALDH1A1HPGDSMN1; SMN2RAB9A
SCHEMBL17570840 0.72 KDM4E (0.49) KDM4EALDH1A1HPGDSMN1; SMN2RAB9A
SCHEMBL17570857 0.72 KDM4E (0.46) KDM4EALDH1A1HPGDSMN1; SMN2RAB9A

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-2993215-B1 Azabenzimidazo[2,1-a]benzimidazoles for electronic applications IDEMITSU KOSAN CO (JP) 2019-06-19 EP disclosed