SCHEMBL9720397

SCHEMBL9720397

COc1ccc(C(O)(c2cncnc2)C2CC2)cc1.OC(c1ccc(OC(F)(F)F)cc1)(c1cncnc1)C1CC1

nearest known ligand 0.73

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CYP19A1 P11511 6/20 0.73
▸ CCR6 P51684 5/20 0.49
▸ KCNH2 Q12809 4/20 0.49
▸ NPY2R P49146 3/20 0.42
▸ MEN1 O00255 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ EPHX2 P34913 1/20 0.38
▸ PDE2A O00408 1/20 0.38
▸ ABL1 P00519 1/20 0.38
▸ GALR2 O43603 1/20 0.37
▸ GALR1 P47211 1/20 0.37

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
SCHEMBL7713437 0.94 CYP19A1 (0.67) CYP19A1CCR6KCNH2NPY2RABL1
SCHEMBL122607 0.91 CYP19A1 (0.86) CYP19A1NPY2RMEN1LMNAKMT2A
SCHEMBL10361879 0.79 CYP19A1 (0.65) CYP19A1CCR6KCNH2NPY2RMEN1
SCHEMBL11445508 0.79 CYP19A1 (0.67) CYP19A1CCR6KCNH2NPY2RABL1
Hydrochloric Acid SCHEMBL11726394 0.79 KCNH2 (0.53) CYP19A1CCR6KCNH2NPY2RLMNA
SCHEMBL17172168 0.77 CYP19A1 (0.46) CYP19A1CCR6KCNH2NPY2RABL1
SCHEMBL17157391 0.77 CYP19A1 (0.46) CYP19A1CCR6KCNH2NPY2RABL1
SCHEMBL11439074 0.77 CYP19A1 (0.67) CYP19A1CCR6KCNH2NPY2REPHX2
SCHEMBL7472985 0.75 LMNA (0.56) CCR6KCNH2NPY2RLMNA
SCHEMBL11725562 0.74 CYP19A1 (0.54) CYP19A1CCR6KCNH2NPY2RLMNA

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-5087282-A Sulfonylura agents for defoliating cotton BASF AKTIENGESELLSCHAFT (DE) 1992-02-11 — — US disclosed
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