SCHEMBL3172485

SCHEMBL3172485

O=C(Cc1cc(F)cc(F)c1)Nc1nc2c(s1)CCCC2C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 4/20 0.43
▸ THRB P10828 1/20 0.41
▸ MAPT P10636 4/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ TP53 P04637 2/20 0.39
▸ NPC1 O15118 2/20 0.39
▸ RAB9A P51151 2/20 0.39
▸ PSEN1 P49768 3/20 0.38
▸ PSEN2 P49810 3/20 0.38
▸ APH1B Q8WW43 3/20 0.38
▸ NCSTN Q92542 3/20 0.38
▸ APH1A Q96BI3 3/20 0.38
▸ PSENEN Q9NZ42 3/20 0.38
▸ MEN1 O00255 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ NFKB1 P19838 1/20 0.38
▸ PTBP1 P26599 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ NFKB2 Q00653 1/20 0.38
▸ RELA Q04206 1/20 0.38

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
SCHEMBL3164398 0.81 HRH3 (0.38) LMNATHRBMAPTALDH1A1
SCHEMBL3157384 0.80 CNR1 (0.40) LMNAMAPTALDH1A1HTTGLS
SCHEMBL3166107 0.78 SMN1; SMN2 (0.65) LMNATHRBMAPTALDH1A1TP53
SCHEMBL3172964 0.78 PARP1 (0.47) LMNAMAPTALDH1A1NPC1RAB9A
SCHEMBL3172349 0.77 ADORA3 (0.50) LMNAMAPTALDH1A1TP53NPC1
SCHEMBL3164100 0.77 LMNA (0.36) LMNATHRBMAPTALDH1A1TP53
SCHEMBL3163684 0.77 MAPT (0.41) LMNAMAPTALDH1A1TP53NPC1
SCHEMBL3163907 0.77 NPC1 (0.50) LMNAALDH1A1NPC1RAB9AMEN1
SCHEMBL3164089 0.76 POLB (0.47) LMNAMAPTALDH1A1MEN1KMT2A
SCHEMBL3166048 0.75 CSNK1D (0.51) LMNATHRBMAPTALDH1A1MEN1

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
EP-1716128-B1 SUBSTITUTED 4,5,6,7-TETRAHYDRO-BENZOTHIAZOL-2-YLAMINE COMPOUNDS GRUENENTHAL GMBH (DE) 2010-03-31 — — EP claimed
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