SCHEMBL8414682

SCHEMBL8414682

O=C([CH]Cc1ccccc1)N1C[C@@H](O)[C@@H](O)C1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FUCA1 P04066 2/20 0.41
LMNA P02545 1/20 0.38
GAA P10253 1/20 0.38
TACR3 P29371 1/20 0.37
ALDH1A1 P00352 1/20 0.37
POLB P06746 1/20 0.37
MAPT P10636 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
MAOB P27338 1/20 0.36
S1PR1 P21453 1/20 0.36
S1PR5 Q9H228 1/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
AR P10275 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
GBA1 P04062 1/20 0.36

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
SCHEMBL8411223 1.00 FUCA1 (0.41) FUCA1LMNAGAATACR3ALDH1A1
SCHEMBL8411390 0.90 HSD11B1 (0.43) FUCA1LMNAGAATACR3ALDH1A1
SCHEMBL27463118 0.81 LMNA (0.48) LMNAGAATACR3ALDH1A1POLB
SCHEMBL4422938 0.79 NPC1 (0.53) LMNAGAAALDH1A1NPC1RAB9A
SCHEMBL3094922 0.76 TACR1 (0.38) FUCA1GAAMAPTNPC1RAB9A
SCHEMBL6704820 0.76 TACR1 (0.38) FUCA1GAAMAPTNPC1RAB9A
SCHEMBL4052147 0.75 RAB9A (0.56) LMNAALDH1A1MAPTNPC1RAB9A
SCHEMBL8413126 0.75 FUCA1 (0.37) FUCA1ALDH1A1SMN1; SMN2
SCHEMBL8411492 0.75 FUCA1 (0.37) FUCA1ALDH1A1SMN1; SMN2
SCHEMBL6705224 0.75 TEAD1 (0.43) LMNAGAATACR3ALDH1A1POLB

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-5952322-A AMIDE-SUBSTITUTED BENZIMIDAZOLE, INDOLE DERIVATIVES PFIZER INC. (US) 1999-09-14 US claimed
US-5952322-A AMIDE-SUBSTITUTED BENZIMIDAZOLE, INDOLE DERIVATIVES PFIZER INC. (US) 1999-09-14 US disclosed