SCHEMBL6586233

SCHEMBL6586233

Cc1cc(Br)ccc1-c1cccc(C(F)(F)F)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC1A3 P43003 1/20 0.46
▸ SLC1A2 P43004 1/20 0.46
▸ SLC1A1 P43005 1/20 0.46
▸ KDM4E B2RXH2 3/20 0.45
▸ ALDH1A1 P00352 3/20 0.45
▸ CYP1A2 P05177 2/20 0.45
▸ MEN1 O00255 1/20 0.45
▸ CYP2D6 P10635 1/20 0.45
▸ CYP2C9 P11712 1/20 0.45
▸ CYP2C19 P33261 1/20 0.45
▸ HTT P42858 1/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ AKR1C3 P42330 3/20 0.43
▸ AKR1C2 P52895 3/20 0.43
▸ IKBKB O14920 1/20 0.41
▸ BRD4 O60885 1/20 0.41
▸ KCNA3 P22001 1/20 0.41
▸ RORC P51449 1/20 0.40
▸ RORB Q92753 1/20 0.40

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
SCHEMBL12425095 0.81 SLC1A3 (0.43) SLC1A3SLC1A2SLC1A1CYP1A2AKR1C3
SCHEMBL321574 0.80 AR (0.50) SLC1A3SLC1A2SLC1A1KDM4EAKR1C3
SCHEMBL2228777 0.79 RORC (0.43) SLC1A3SLC1A2SLC1A1KDM4EALDH1A1
SCHEMBL2926653 0.78 MAOA (0.54) SLC1A3SLC1A2SLC1A1KDM4EALDH1A1
SCHEMBL6498979 0.77 IKBKB (0.48) SLC1A3SLC1A2SLC1A1AKR1C3AKR1C2
SCHEMBL26375358 0.77 PDE3B (0.44) SLC1A3SLC1A2SLC1A1CYP1A2AKR1C3
SCHEMBL26375402 0.76 SLC1A3 (0.50) SLC1A3SLC1A2SLC1A1KDM4EALDH1A1
SCHEMBL179120 0.76 SLC1A3 (0.54) SLC1A3SLC1A2SLC1A1KDM4EALDH1A1
SCHEMBL6685777 0.75 MAOB (0.56) KDM4EALDH1A1CYP1A2MEN1CYP2D6
SCHEMBL16809158 0.75 ESR2 (0.55) SLC1A3SLC1A2SLC1A1ALDH1A1

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-1036062-B1 HYDROXAMIC ACID DERIVATIVES AS MATRIX METALLOPROTEASE (MMP) INHIBITORS PFIZER LTD (GB) 2004-01-02 — — EP disclosed
US-6495568-B1 TREATMENT OF TISSUE ULCERATION, WOUND REPAIR AND SKIN DISEASES WARNER-LAMBERT COMPANY 2002-12-17 — — US disclosed
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