SCHEMBL27685158

SCHEMBL27685158

O=C(c1cnc(-c2ccccc2)s1)c1cc(Br)ccc1O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 6/20 0.58
▸ NPC1 O15118 5/20 0.58
▸ RAB9A P51151 5/20 0.58
▸ ALDH1A1 P00352 5/20 0.58
▸ SMN1; SMN2 Q16637 5/20 0.58
▸ CYP1A2 P05177 3/20 0.57
▸ CYP2C9 P11712 2/20 0.57
▸ CYP2C19 P33261 2/20 0.57
▸ CYP2D6 P10635 1/20 0.57
▸ GSTA1 P08263 2/20 0.51
▸ HPGD P15428 2/20 0.50
▸ ALOX15 P16050 1/20 0.50
▸ CASP1 P29466 1/20 0.50
▸ PPARG P37231 2/20 0.49
▸ NCOA2 Q15596 2/20 0.49
▸ NCOA1 Q15788 2/20 0.49
▸ NCOA3 Q9Y6Q9 2/20 0.49
▸ NFKB1 P19838 1/20 0.49
▸ NFKB2 Q00653 1/20 0.49
▸ RELA Q04206 1/20 0.49

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
SCHEMBL1997541 0.81 PTGDR2 (0.61) MAPTNPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL27768717 0.79 NPC1 (0.83) MAPTNPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL12788381 0.74 NPC1 (1.00) MAPTNPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL23794611 0.72 NPC1 (0.52) MAPTNPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL1222603 0.72 ALDH1A1 (0.72) MAPTNPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL6481114 0.72 NPC1 (0.88) MAPTNPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL31172946 0.71 HPGD (0.71) MAPTALDH1A1SMN1; SMN2CYP1A2CYP2C9
SCHEMBL145318 0.71 HPGD (0.71) MAPTALDH1A1SMN1; SMN2CYP1A2CYP2C9
SCHEMBL15684683 0.70 ALOX15 (1.00) MAPTALDH1A1SMN1; SMN2CYP1A2CYP2C9
SCHEMBL892779 0.70 MAPT (0.68) MAPTNPC1RAB9AALDH1A1SMN1; 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
CN-1980664-B CRTH2 receptor ligands for therapeutic use 7TM PHARMA AS 2011-02-23 — — CN disclosed
CN-1980664-A CRTH2 receptor ligands for therapeutic use 7TM PHARMA AS (DK) 2007-06-13 — — CN disclosed
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