SCHEMBL8322708

SCHEMBL8322708

COc1ccc(NNc2ccc(OC)c(Cl)c2)cc1Cl

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.57
GAA P10253 1/20 0.57
NPC1 O15118 5/20 0.56
RAB9A P51151 5/20 0.56
SMN1; SMN2 Q16637 5/20 0.54
HPGD P15428 2/20 0.54
TP53 P04637 1/20 0.54
PKM P14618 1/20 0.54
NPSR1 Q6W5P4 1/20 0.54
ALDH1A1 P00352 6/20 0.53
MEN1 O00255 3/20 0.53
KMT2A Q03164 3/20 0.53
HTT P42858 2/20 0.53
GLA P06280 1/20 0.53
POLB P06746 1/20 0.51
LMNA P02545 3/20 0.50
GRM4 Q14833 1/20 0.50
EPHB4 P54760 1/20 0.49
ACHE P22303 1/20 0.48

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
SCHEMBL27428765 0.90 MAPT (0.53) MAPTGAANPC1RAB9ASMN1; SMN2
SCHEMBL2092356 0.85 MAPT (0.56) MAPTGAANPC1RAB9ASMN1; SMN2
SCHEMBL20984125 0.84 HTT (0.58) MAPTGAANPC1RAB9ASMN1; SMN2
SCHEMBL5809000 0.83 MAPT (0.54) MAPTGAANPC1RAB9ASMN1; SMN2
SCHEMBL2092353 0.83 MAPT (0.54) MAPTGAANPC1RAB9ASMN1; SMN2
Hydrochloric Acid SCHEMBL7416456 0.83 NPC1 (0.57) MAPTGAANPC1RAB9ASMN1; SMN2
Bromide SCHEMBL20984140 0.82 MAPT (0.53) MAPTGAANPC1RAB9ASMN1; SMN2
SCHEMBL30358959 0.82 MAPT (0.61) MAPTGAANPC1RAB9ASMN1; SMN2
Hydrochloric Acid SCHEMBL7008397 0.82 MAPT (0.53) MAPTGAANPC1RAB9ASMN1; SMN2
Hydrochloric Acid SCHEMBL4073968 0.82 NPC1 (0.55) MAPTGAANPC1RAB9ASMN1; 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5874443-A BIOSYNTHESIS TREGA BIOSCIENCES, INC. (US) 1999-02-23 US disclosed