SCHEMBL20892736

SCHEMBL20892736

CCOc1ccc(C(=O)c2ccnc(C)n2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.59
NPSR1 Q6W5P4 1/20 0.59
PARP10 Q53GL7 1/20 0.49
NPC1 O15118 4/20 0.48
RAB9A P51151 3/20 0.48
PKM P14618 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
MAPT P10636 4/20 0.47
TSHR P16473 2/20 0.47
HPGD P15428 3/20 0.47
KDM4E B2RXH2 3/20 0.47
ALOX15 P16050 2/20 0.47
ALDH1A1 P00352 1/20 0.47
RECQL P46063 1/20 0.47
HSD17B10 Q99714 1/20 0.47
PLK1 P53350 1/20 0.46
LMNA P02545 5/20 0.46
TP53 P04637 1/20 0.45
MAPK1 P28482 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45

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
SCHEMBL20892739 0.89 LMNA (0.49) KMT2ANPSR1NPC1RAB9AMAPT
SCHEMBL22594431 0.85 KMT2A (0.59) KMT2ANPSR1PARP10NPC1RAB9A
SCHEMBL20892401 0.82 SRD5A2 (0.58) PARP10RAB9ASMN1; SMN2MAPTALDH1A1
SCHEMBL29912311 0.78 LTA4H (0.49) KMT2ANPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL845348 0.77 NPSR1 (0.79) KMT2ANPSR1PARP10NPC1RAB9A
SCHEMBL22594427 0.74 L3MBTL1 (0.49) KMT2ANPSR1NPC1RAB9AMAPT
SCHEMBL30776959 0.74 KMT2A (0.69) KMT2ANPSR1PARP10NPC1RAB9A
SCHEMBL22334720 0.73 L3MBTL1 (0.48) KMT2ANPSR1NPC1RAB9ATSHR
SCHEMBL22334719 0.73 CYP19A1 (0.48) KMT2ANPSR1NPC1SMN1; SMN2TSHR
SCHEMBL20892368 0.73 CYP19A1 (0.50) KMT2ANPSR1NPC1RAB9ASMN1; SMN2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3693365-A1 EPIDERMAL GROWTH FACTOR RECEPTOR INHIBITORS Joint Stock Company "Biocad" (RU) 2020-08-12 EP disclosed
WO-2019070167-A1 EPIDERMAL GROWTH FACTOR RECEPTOR INHIBITORS ЗАКРЫТОЕ АКЦИОНЕРНОЕ ОБЩЕСТВО "БИОКАД" 2019-04-11 WO disclosed