SCHEMBL8969355

SCHEMBL8969355

Cc1ccn2c(=N)c3c(Cl)cc(Cl)cc3nc2c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 1/20 0.41
KDM4E B2RXH2 4/20 0.40
ALDH1A1 P00352 4/20 0.40
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
SMN1; SMN2 Q16637 5/20 0.37
POLB P06746 2/20 0.37
LMNA P02545 1/20 0.36
MAPT P10636 4/20 0.35
CTDSP1 Q9GZU7 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
PARP1 P09874 1/20 0.35
MAT2A P31153 1/20 0.35
GAA P10253 3/20 0.35
DNMT1 P26358 1/20 0.35
COMT P21964 1/20 0.35
USP7 Q93009 1/20 0.35
HSD17B10 Q99714 1/20 0.34
CYP11B1 P15538 1/20 0.34
CYP11B2 P19099 1/20 0.34

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
SCHEMBL8969226 0.87 KDM4E (0.38) KDM4EALDH1A1NPC1RAB9APOLB
SCHEMBL8969266 0.83 CYP11B1 (0.34) KDM4EALDH1A1NPC1RAB9APOLB
SCHEMBL8968968 0.81 KDM4E (0.53) HTR6KDM4EALDH1A1NPC1RAB9A
SCHEMBL8969345 0.81 NR1H4 (0.39) HTR6KDM4EALDH1A1NPC1RAB9A
SCHEMBL8969177 0.76 KDM4E (0.50) HTR6KDM4EALDH1A1NPC1RAB9A
SCHEMBL8970270 0.75 HTR6 (0.41) HTR6KDM4EALDH1A1NPC1RAB9A
SCHEMBL8968970 0.75 KDM4E (0.48) HTR6KDM4EALDH1A1NPC1RAB9A
SCHEMBL8968363 0.75 KDM4E (0.40) HTR6KDM4EALDH1A1NPC1RAB9A
SCHEMBL8969761 0.73 HTT (0.42) KDM4EALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL8968872 0.72 PTPN1 (0.34) KDM4EALDH1A1NPC1RAB9APOLB

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
US-5486512-A LEARNING ENHANCEMENT WARNER-LAMBERT COMPANY (US) 1996-01-23 US disclosed