SCHEMBL11060588

SCHEMBL11060588

Nc1ccc(Oc2ccc(S(=O)(=O)C(F)(F)F)cc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTPRZ1 P23471 1/20 0.53
▸ ALDH1A1 P00352 4/20 0.52
▸ CYP3A4 P08684 2/20 0.52
▸ TSHR P16473 2/20 0.52
▸ TDP1 Q9NUW8 1/20 0.52
▸ HTT P42858 1/20 0.48
▸ MMP2 P08253 4/20 0.46
▸ MMP9 P14780 4/20 0.46
▸ MMP3 P08254 1/20 0.46
▸ MMP8 P22894 1/20 0.46
▸ MMP14 P50281 1/20 0.46
▸ SOS1 Q07889 2/20 0.46
▸ PTPN1 P18031 2/20 0.46
▸ MAOA P21397 2/20 0.45
▸ MAPT P10636 2/20 0.44
▸ NPC1 O15118 1/20 0.44
▸ HPGD P15428 1/20 0.44
▸ MAPK1 P28482 1/20 0.44
▸ RAB9A P51151 1/20 0.44
▸ TEAD4 Q15561 1/20 0.44

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
SCHEMBL11507063 0.90 PTPRZ1 (0.61) PTPRZ1ALDH1A1TSHRHTTSOS1
SCHEMBL479304 0.88 ALDH1A1 (0.61) PTPRZ1ALDH1A1CYP3A4TSHRTDP1
SCHEMBL8941529 0.85 PTPRZ1 (0.56) PTPRZ1ALDH1A1TSHRHTTSOS1
SCHEMBL3910315 0.82 CA12 (0.57) PTPRZ1ALDH1A1CYP3A4TSHRTDP1
SCHEMBL8941500 0.80 PTPRZ1 (0.51) PTPRZ1ALDH1A1TDP1HTTMMP2
SCHEMBL8941541 0.80 PTPRZ1 (0.51) PTPRZ1ALDH1A1TDP1HTTMMP2
SCHEMBL24512752 0.79 PTPRZ1 (0.50) PTPRZ1ALDH1A1TSHRHTTSOS1
SCHEMBL8941542 0.79 PTPRZ1 (0.50) PTPRZ1ALDH1A1TSHRHTTSOS1
SCHEMBL8941634 0.79 HTT (0.57) PTPRZ1ALDH1A1TDP1HTTMMP2
SCHEMBL8941641 0.79 PTPRZ1 (0.50) PTPRZ1ALDH1A1TSHRHTTSOS1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4459304-A MITICIDES, NEMATOCIDES, FUNGICIDES, BACTERICIDES, INSECTICIDES BAYER AKTIENGESELLSCHAFT (DE) 1984-07-10 — — US disclosed
EP-0000156-B1 2-ARYLAMINO-3,5-DINITRO-BENZOTRIFLUORIDES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS PESTICIDES. BAYER AG (DE) 1980-11-12 — — EP disclosed
EP-0000156-A1 2-Arylamino-3,5-dinitro-benzotrifluorides, process for their preparation and their use as pesticides. BAYER AG (DE) 1979-01-10 — — EP disclosed
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