SCHEMBL6783418

SCHEMBL6783418

CCCCCCCCc1noc(-c2ccc(C[N]Cc3ccc(C(F)(F)F)cc3)cc2)n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.47
ALDH1A1 P00352 2/20 0.47
MAPT P10636 2/20 0.47
RAB9A P51151 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
KDM4E B2RXH2 1/20 0.47
PKM P14618 1/20 0.47
HPGD P15428 1/20 0.47
HSD17B10 Q99714 1/20 0.47
SPHK1 Q9NYA1 4/20 0.44
S1PR1 P21453 4/20 0.43
NFKB1 P19838 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
LMNA P02545 1/20 0.43
THRB P10828 1/20 0.43
PPARG P37231 1/20 0.41
PPARD Q03181 1/20 0.41
PPARA Q07869 1/20 0.41

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
SCHEMBL1855183 0.87 SPHK1 (0.51) NPC1ALDH1A1MAPTRAB9ASMN1; SMN2
SCHEMBL6725380 0.87 SPHK1 (0.51) NPC1ALDH1A1MAPTRAB9ASMN1; SMN2
Hydrochloric Acid SCHEMBL1855130 0.86 SPHK1 (0.50) NPC1ALDH1A1MAPTRAB9ASMN1; SMN2
SCHEMBL4969074 0.85 SPHK1 (0.45) NPC1ALDH1A1MAPTRAB9ASMN1; SMN2
SCHEMBL6718282 0.85 ALDH1A1 (0.45) NPC1ALDH1A1MAPTRAB9ASMN1; SMN2
SCHEMBL6718276 0.85 SPHK1 (0.43) NPC1ALDH1A1MAPTRAB9ASMN1; SMN2
SCHEMBL5044951 0.84 SPHK1 (0.41) SPHK1PPARAOPRL1
SCHEMBL1859531 0.84 SPHK1 (0.49) NPC1ALDH1A1MAPTRAB9ASMN1; SMN2
SCHEMBL1850471 0.84 SPHK1 (0.49) NPC1ALDH1A1MAPTRAB9ASMN1; SMN2
SCHEMBL6718257 0.83 SPHK1 (0.50) NPC1ALDH1A1MAPTRAB9ASMN1; SMN2

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
EP-1470102-A1 SUBSTITUTED METHYLENE AMIDE DERIVATIVES AS MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPS) Applied Research Systems ARS Holding N.V. (AN) 2004-10-27 EP claimed
WO-2003064376-A1 SUBSTITUTED METHYLENE AMIDE DERIVATIVES AS MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPS) APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2003-08-07 WO claimed