SCHEMBL20040469

SCHEMBL20040469

Cc1cccc(-c2ncnc(-n3c4ccccc4c4ccccc43)n2)c1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NR1I3 Q14994 2/20 0.43
RAB9A P51151 4/20 0.42
TSHR P16473 2/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPK1 P28482 1/20 0.41
KMT2A Q03164 4/20 0.40
RXFP1 Q9HBX9 1/20 0.40
HRH4 Q9H3N8 1/20 0.40
TP53 P04637 2/20 0.39
MAP4K4 O95819 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
MEN1 O00255 3/20 0.38
GAA P10253 1/20 0.38
NPC1 O15118 3/20 0.37
MAPT P10636 1/20 0.37
ELANE P08246 1/20 0.37
IDO1 P14902 1/20 0.37
METAP2 P50579 1/20 0.37
L3MBTL1 Q9Y468 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
SCHEMBL22373646 0.85 NR1I3 (0.50) NR1I3RAB9ATSHRALDH1A1MAPK1
SCHEMBL23618652 0.84 L3MBTL1 (0.42) RAB9AALDH1A1MAPK1KMT2AHRH4
SCHEMBL20040411 0.83 KDM4E (0.37) RAB9ATSHRALDH1A1KMT2ATP53
SCHEMBL17716130 0.82 NR1I3 (0.47) NR1I3RAB9ATSHRALDH1A1MAPK1
SCHEMBL16904472 0.81 KDM4E (0.34) HRH4L3MBTL1
SCHEMBL22926682 0.80 AURKA (0.37) ALDH1A1KMT2ASMN1; SMN2MEN1MAPT
SCHEMBL22926685 0.80 MEN1 (0.40) TSHRALDH1A1MAPK1KMT2AMEN1
SCHEMBL15685736 0.80 KMO (0.49) RAB9AALDH1A1KMT2ARXFP1TP53
SCHEMBL22373648 0.78 NR1I3 (0.49) NR1I3RAB9ATSHRALDH1A1MAPK1
SCHEMBL12033607 0.77 NR1I3 (0.43) NR1I3RAB9ATSHRALDH1A1MAPK1

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-3053918-B1 2-carbazole substituted benzimidazoles for electronic applications IDEMITSU KOSAN CO (JP) 2018-04-11 EP disclosed