SCHEMBL19365765

SCHEMBL19365765

CS(=O)(=O)c1ccc(-c2ccc3c(n2)N(C(=O)Nc2ccccn2)C2CCN32)cc1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ATR Q13535 1/20 0.47
▸ NPC1 O15118 4/20 0.40
▸ RAB9A P51151 4/20 0.39
▸ LMNA P02545 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ CCNA2 P20248 1/20 0.36
▸ CDK2 P24941 1/20 0.36
▸ GSK3B P49841 1/20 0.36
▸ DYRK1A Q13627 1/20 0.36
▸ RXFP1 Q9HBX9 1/20 0.35
▸ GCK P35557 1/20 0.35
▸ TGFBR1 P36897 1/20 0.35
▸ CPT2 P23786 1/20 0.35
▸ CPT1A P50416 1/20 0.35
▸ CPT1B Q92523 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ GPR119 Q8TDV5 1/20 0.35

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
SCHEMBL19365766 1.00 ATR (0.47) ATRNPC1RAB9ALMNATSHR
SCHEMBL19365402 0.89 PIK3C3 (0.42) ATRNPC1RAB9ALMNATSHR
SCHEMBL19365403 0.89 PIK3C3 (0.42) ATRNPC1RAB9ALMNATSHR
SCHEMBL17618573 0.84 ATR (0.45) ATRNPC1RAB9ALMNATSHR
SCHEMBL19365410 0.84 RAB9A (0.41) NPC1RAB9AGSK3BDYRK1AMEN1
SCHEMBL19365409 0.84 RAB9A (0.41) NPC1RAB9AGSK3BDYRK1AMEN1
SCHEMBL19365768 0.83 EGFR (0.45) NPC1RAB9AGSK3BDYRK1ATGFBR1
SCHEMBL19364814 0.83 GRM5 (0.38) GSK3BDYRK1AMEN1HTTKMT2A
SCHEMBL19670441 0.83 GRM5 (0.38) GSK3BDYRK1AMEN1HTTKMT2A
SCHEMBL19670463 0.83 EGFR (0.45) NPC1RAB9AGSK3BDYRK1ATGFBR1

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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