SCHEMBL19365787

SCHEMBL19365787

Cc1cncc(NC(=O)N2c3nc(-c4cncc(C(F)(F)F)c4)ccc3C3C[C@@H](O)C32)c1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ SCN10A Q9Y5Y9 2/20 0.40
▸ PHGDH O43175 1/20 0.36
▸ TRPV3 Q8NET8 1/20 0.36
▸ AR P10275 1/20 0.35
▸ CRHR1 P34998 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ PTGS2 P35354 3/20 0.34
▸ KDM1A O60341 1/20 0.34
▸ CHRNA7 P36544 1/20 0.33
▸ PRMT5 O14744 1/20 0.33
▸ WDR77 Q9BQA1 1/20 0.33
▸ ABL1 P00519 1/20 0.33
▸ TRPV1 Q8NER1 1/20 0.33
▸ TRPA1 O75762 1/20 0.32
▸ HCRTR1 O43613 1/20 0.32
▸ HCRTR2 O43614 1/20 0.32
▸ HDAC4 P56524 1/20 0.32
▸ FYN P06241 1/20 0.32
▸ DYRK1A Q13627 1/20 0.32

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
SCHEMBL19706290 0.93 MAPT (0.39) SCN10ATRPV3MAPTPTGS2KDM1A
SCHEMBL19365548 0.91 TRPV3 (0.37) SCN10ATRPV3ARCRHR1PTGS2
SCHEMBL19365666 0.89 HTR2C (0.41) MAPTTRPV1
SCHEMBL19670327 0.85 PIK3CD (0.36) TRPV3CRHR1PTGS2KDM1ACHRNA7
SCHEMBL19670562 0.84 ALOX15 (0.39) TRPV3MAPTPTGS2KDM1ACHRNA7
SCHEMBL19706246 0.83 BRAF (0.37) SCN10AMAPTKDM1APRMT5WDR77
SCHEMBL19670548 0.83 TRPM8 (0.38) PHGDHTRPV3PTGS2KDM1ACHRNA7
SCHEMBL19365860 0.83 CHRNA7 (0.36) TRPV3ARKDM1ACHRNA7ABL1
SCHEMBL19365758 0.83 FGFR4 (0.36) SCN10ATRPV3PTGS2CHRNA7ABL1
SCHEMBL19365783 0.82 RHOA (0.45) KDM1ATRPV1FYN

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
US-9834558-B2 Substituted bridged urea analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2017-12-05 — — US disclosed
US-9765075-B2 Substituted bridged urea analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2017-09-19 — — US disclosed
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