SCHEMBL10569601

SCHEMBL10569601

CCCCCCCCCn1ccc(=NCCCCCC)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 7/20 0.56
RAB9A P51151 7/20 0.56
HTT P42858 6/20 0.56
MAPK1 P28482 4/20 0.56
LMNA P02545 3/20 0.56
NPSR1 Q6W5P4 3/20 0.56
SMN1; SMN2 Q16637 3/20 0.56
HSP90AA1 P07900 3/20 0.56
GALR3 O60755 2/20 0.56
POLB P06746 2/20 0.56
ATM Q13315 2/20 0.56
APOBEC3A P31941 2/20 0.56
APOBEC3G Q9HC16 2/20 0.56
MAPT P10636 2/20 0.56
KDM4E B2RXH2 1/20 0.56
RAD52 P43351 1/20 0.56
PAX8 Q06710 1/20 0.56
NR2F2 P24468 1/20 0.56
NOD2 Q9HC29 1/20 0.56
ALDH1A1 P00352 3/20 0.53

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
SCHEMBL23393769 1.00 NPC1 (0.56) NPC1RAB9AHTTMAPK1LMNA
Pirtenidine SCHEMBL2108103 1.00 NPC1 (0.56) NPC1RAB9AHTTMAPK1LMNA
Octenidine SCHEMBL124821 1.00 NPC1 (0.56) NPC1RAB9AHTTMAPK1LMNA
SCHEMBL10570053 1.00 NPC1 (0.56) NPC1RAB9AHTTMAPK1LMNA
Octenidine SCHEMBL20764598 1.00 NPC1 (0.56) NPC1RAB9AHTTMAPK1LMNA
Octenidine SCHEMBL2594550 0.98 NPC1 (0.54) NPC1RAB9AHTTMAPK1LMNA
Octenidine SCHEMBL16836483 0.98 NPC1 (0.54) NPC1RAB9AHTTMAPK1LMNA
Octenidine SCHEMBL986183 0.98 NPC1 (0.54) NPC1RAB9AHTTMAPK1LMNA
Octenidine SCHEMBL20597431 0.98 NPC1 (0.59) NPC1RAB9AHTTMAPK1LMNA
Hydrochloric Acid SCHEMBL10573221 0.98 NPC1 (0.54) NPC1RAB9AHTTMAPK1LMNA

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-4839372-A ANTIPLAQUE AGENTS STERLING DRUG INC. (US) 1989-06-13 US claimed