SCHEMBL16954702

SCHEMBL16954702

C[C](CF)c1cccc(Cl)c1F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NOTUM Q6P988 1/20 0.40
▸ KAT6A Q92794 2/20 0.39
▸ CYP11B1 P15538 2/20 0.38
▸ CYP11B2 P19099 1/20 0.38
▸ SLC6A2 P23975 1/20 0.36
▸ SLC6A4 P31645 1/20 0.36
▸ SLC6A3 Q01959 1/20 0.36
▸ CFD P00746 1/20 0.36
▸ TSHR P16473 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ P2RX7 Q99572 1/20 0.35
▸ CES2 O00748 1/20 0.34
▸ CES1 P23141 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.33
▸ TAAR1 Q96RJ0 1/20 0.33
▸ KMO O15229 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ TAS1R3 Q7RTX0 1/20 0.33

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
SCHEMBL16951364 0.86 CYP11B1 (0.40) NOTUMKAT6ACYP11B1CYP11B2SLC6A2
SCHEMBL16956745 0.84 ALDH1A1 (0.42) NOTUMMEN1KMT2AALDH1A1TAS1R3
SCHEMBL16951918 0.84 TSHR (0.48) TSHRP2RX7MEN1KMT2AALDH1A1
SCHEMBL16955639 0.81 KAT6A (0.41) NOTUMKAT6ACYP11B1CYP11B2SLC6A2
SCHEMBL16961777 0.81 TSHR (0.33) NOTUMTSHRGAACES2CES1
SCHEMBL16961987 0.79 GAA (0.40) TSHRGAAMEN1KMT2ATDP1
SCHEMBL16957491 0.79 CES2 (0.54) KAT6AGAACES2CES1KMT2A
SCHEMBL16952864 0.78 NPC1 (0.33) NOTUMTSHRGAACES2CES1
SCHEMBL16961294 0.78 NOTUM (0.40) NOTUMTSHRKMT2ATDP1ALDH1A1
SCHEMBL3612002 0.78 KAT6A (0.46) NOTUMKAT6ACYP11B1CYP11B2SLC6A2

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-2900645-A1 3-PHENYLISOXAZOLIN DERIVATIVES WITH HERBICIDAL ACTION Bayer CropScience AG (DE) 2015-08-05 — — EP disclosed
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