SCHEMBL18513310

SCHEMBL18513310

CCCCCCCNCCCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 5/20 0.66
▸ HLCS P50747 2/20 0.65
▸ CNR1 P21554 2/20 0.61
▸ CNR2 P34972 2/20 0.59
▸ F2 P00734 1/20 0.58
▸ PRSS1 P07477 1/20 0.58
▸ PRSS2 P07478 1/20 0.58
▸ PRSS3 P35030 1/20 0.58
▸ TPSAB1 Q15661 1/20 0.58
▸ MEN1 O00255 1/20 0.57
▸ ABL1 P00519 1/20 0.57
▸ LMNA P02545 1/20 0.57
▸ PKM P14618 1/20 0.57
▸ IDE P14735 1/20 0.57
▸ MAPK1 P28482 1/20 0.57
▸ KMT2A Q03164 1/20 0.57
▸ RIN1 Q13671 1/20 0.57
▸ L3MBTL1 Q9Y468 1/20 0.57
▸ PLCD1 P51178 1/20 0.56
▸ ITGB1 P05556 1/20 0.56

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
SCHEMBL15870672 0.96 HLCS (0.71) TDP1HLCSCNR1CNR2F2
SCHEMBL7376597 0.96 HLCS (0.71) TDP1HLCSCNR1CNR2F2
SCHEMBL13045403 0.96 HLCS (0.71) TDP1HLCSCNR1CNR2F2
SCHEMBL12320610 0.96 HLCS (0.71) TDP1HLCSCNR1CNR2F2
SCHEMBL22493325 0.96 HLCS (0.71) TDP1HLCSCNR1CNR2F2
SCHEMBL12729936 0.96 HLCS (0.71) TDP1HLCSCNR1CNR2F2
SCHEMBL8240579 0.95 TDP1 (0.72) TDP1HLCSCNR1CNR2F2
SCHEMBL17704089 0.95 TDP1 (0.72) TDP1HLCSCNR1CNR2F2
SCHEMBL6941477 0.95 TDP1 (0.72) TDP1HLCSCNR1CNR2F2
SCHEMBL17881931 0.92 TDP1 (0.71) TDP1HLCSCNR1CNR2F2

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-2701510-B1 PYRAZOLOPYRIDAZINES AND METHODS FOR TREATING RETINAL-DEGENERATIVE DISEASES AND HEARING LOSS ASSOCIATED WITH USHER SYNDROME USHER III INITIATIVE INC (US) 2017-02-15 — — EP disclosed
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