SCHEMBL20021230

SCHEMBL20021230

COC(=O)c1ccc(N2CCCCC2)nn1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.47
NPC1 O15118 8/20 0.46
RAB9A P51151 8/20 0.46
AOC3 Q16853 1/20 0.46
MAPT P10636 4/20 0.45
TP53 P04637 3/20 0.45
LMNA P02545 1/20 0.45
KMT2A Q03164 3/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
MEN1 O00255 1/20 0.45
KDM4E B2RXH2 2/20 0.43
NPSR1 Q6W5P4 1/20 0.43
PPARG P37231 1/20 0.41
NR2E3 Q9Y5X4 1/20 0.41
NCOR2 Q9Y618 1/20 0.41
DCTPP1 Q9H773 1/20 0.41
RXFP1 Q9HBX9 1/20 0.40
POLB P06746 1/20 0.40

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
SCHEMBL62906 0.86 KMT2A (0.48) NPC1RAB9AAOC3KMT2ASMN1; SMN2
SCHEMBL25770001 0.85 CNR2 (0.55) NPC1RAB9AMAPTTP53LMNA
Hydrochloric Acid SCHEMBL25228190 0.84 KMT2A (0.51) NPC1RAB9AAOC3KMT2ASMN1; SMN2
SCHEMBL15754349 0.84 MEN1 (0.51) AOC3LMNAKMT2ASMN1; SMN2MEN1
SCHEMBL4433479 0.82 AOC3 (0.48) NPC1RAB9AAOC3KMT2ASMN1; SMN2
SCHEMBL27169428 0.80 MEN1 (0.48) AOC3LMNAKMT2ASMN1; SMN2MEN1
SCHEMBL24882086 0.80 MEN1 (0.48) AOC3KMT2ASMN1; SMN2MEN1KDM4E
SCHEMBL20021209 0.80 CYP1A2 (0.53) CYP1A2NPC1RAB9ALMNAPPARG
SCHEMBL26117572 0.79 ALDH1A1 (0.49) AOC3MAPTLMNAKMT2ASMN1; SMN2
SCHEMBL23753993 0.79 HCRTR1 (0.43) AOC3KMT2ASMN1; SMN2MEN1DCTPP1

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-2925745-B1 CXCR7 ANTAGONISTS CHEMOCENTRYX INC (US) 2018-04-04 EP disclosed