SCHEMBL11627869

SCHEMBL11627869

O=C(NCCc1ccccn1)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.66

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.66
SMN1; SMN2 Q16637 2/20 0.66
NPC1 O15118 1/20 0.66
GAA P10253 1/20 0.59
HTT P42858 2/20 0.58
KMT2A Q03164 3/20 0.57
MEN1 O00255 2/20 0.57
NAMPT P43490 2/20 0.57
TSHR P16473 1/20 0.57
ALDH1A1 P00352 1/20 0.57
TLR7 Q9NYK1 1/20 0.56
L3MBTL1 Q9Y468 2/20 0.53
TRPV1 Q8NER1 1/20 0.53
LMNA P02545 1/20 0.53
PKM P14618 1/20 0.53
SCN9A Q15858 1/20 0.52

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
SCHEMBL17886760 0.86 ALDH1A1 (0.73) RAB9ASMN1; SMN2NPC1GAAHTT
SCHEMBL4181950 0.86 LMNA (0.70) RAB9ASMN1; SMN2NPC1HTTKMT2A
SCHEMBL483578 0.86 RAB9A (0.74) RAB9ASMN1; SMN2NPC1GAAHTT
SCHEMBL6788522 0.84 SMO (0.59) RAB9ASMN1; SMN2NPC1HTTNAMPT
SCHEMBL23796071 0.84 NAMPT (0.53) RAB9ASMN1; SMN2NPC1GAAHTT
SCHEMBL6500425 0.83 RAB9A (0.65) RAB9ASMN1; SMN2NPC1GAAHTT
SCHEMBL13947349 0.83 RAB9A (0.65) RAB9ASMN1; SMN2NPC1GAAHTT
SCHEMBL1394203 0.83 RAB9A (0.74) RAB9ASMN1; SMN2NPC1GAAHTT
SCHEMBL11666172 0.83 CNR1 (0.67) RAB9ASMN1; SMN2NPC1GAAHTT
SCHEMBL507445 0.81 RAB9A (0.62) RAB9ASMN1; SMN2NPC1GAAHTT

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
US-4069224-A N-(PYRIDYLALKYL)BENZAMIDES, IMPROVE PRODUCTION OF PROSTAGLANDINS IN MAMMALS THE UPJOHN COMPANY (US) 1978-01-17 US claimed
US-4069224-A N-(PYRIDYLALKYL)BENZAMIDES, IMPROVE PRODUCTION OF PROSTAGLANDINS IN MAMMALS THE UPJOHN COMPANY (US) 1978-01-17 US disclosed