SCHEMBL13689999

SCHEMBL13689999

C=C(C)c1cc(NC(=O)c2c(Cl)cccc2Cl)ccc1Cl

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ TYK2 P29597 10/20 0.56
▸ JAK2 O60674 9/20 0.56
▸ JAK1 P23458 5/20 0.56
▸ SMN1; SMN2 Q16637 1/20 0.51
▸ TAS1R3 Q7RTX0 1/20 0.50
▸ TAS1R1 Q7RTX1 1/20 0.50
▸ TAS1R2 Q8TE23 1/20 0.50
▸ CYP3A4 P08684 1/20 0.50
▸ HPGD P15428 1/20 0.49
▸ KMT2A Q03164 1/20 0.49
▸ ITGB1 P05556 1/20 0.47
▸ ITGA4 P13612 1/20 0.47

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
SCHEMBL8278654 0.90 TYK2 (0.60) TYK2JAK2JAK1SMN1; SMN2TAS1R3
SCHEMBL28729711 0.77 CYP1A2 (0.53) TYK2JAK2JAK1SMN1; SMN2CYP3A4
SCHEMBL8278422 0.76 MAPT (0.63) TYK2JAK2SMN1; SMN2KMT2A
SCHEMBL13690000 0.75 L3MBTL1 (0.55) SMN1; SMN2KMT2A
SCHEMBL23864512 0.75 ITGB1 (0.52) SMN1; SMN2TAS1R3TAS1R1TAS1R2HPGD
SCHEMBL13689807 0.74 ALDH1A1 (0.48) TYK2JAK2JAK1SMN1; SMN2CYP3A4
SCHEMBL20275216 0.74 ALDH1A1 (0.46) TYK2JAK2JAK1HPGD
SCHEMBL13058075 0.74 TYK2 (0.61) TYK2JAK2JAK1SMN1; SMN2TAS1R3
SCHEMBL13689804 0.74 ALDH1A1 (0.61) SMN1; SMN2KMT2A
SCHEMBL95630 0.73 TYK2 (0.65) TYK2JAK2JAK1TAS1R3TAS1R1

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
US-7595399-B2 Tyrosine derivatives GENENTECH, INC. (US) 2009-09-29 — — US disclosed
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