SCHEMBL18896283

SCHEMBL18896283

N#Cc1cccc(CSS)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DAO P14920 1/20 0.49
▸ GLA P06280 1/20 0.46
▸ GSK3A P49840 2/20 0.46
▸ GSK3B P49841 2/20 0.46
▸ EPHX1 P07099 1/20 0.45
▸ TP53 P04637 1/20 0.45
▸ CDC7 O00311 1/20 0.45
▸ DBF4 Q9UBU7 1/20 0.45
▸ CYP19A1 P11511 1/20 0.44
▸ CYP11B1 P15538 1/20 0.44
▸ CYP11B2 P19099 1/20 0.44
▸ HRH3 Q9Y5N1 1/20 0.44
▸ CTSB P07858 1/20 0.44
▸ FOLH1 Q04609 1/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ TSHR P16473 1/20 0.42
▸ HTT P42858 1/20 0.42
▸ KMT2A Q03164 1/20 0.42

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
SCHEMBL28448952 0.84 DAO (0.51) DAOGLAGSK3AGSK3BEPHX1
SCHEMBL4935305 0.81 GLA (0.50) DAOGLAGSK3AGSK3BEPHX1
SCHEMBL18893133 0.78 GLA (0.47) DAOGLAGSK3AGSK3BEPHX1
SCHEMBL8348137 0.78 GLA (0.50) DAOGLACYP19A1CYP11B1CYP11B2
SCHEMBL2154019 0.77 GLA (0.53) GLAGSK3BCYP19A1CYP11B1CYP11B2
SCHEMBL2153847 0.77 HRH3 (0.59) DAOGLAGSK3BCYP19A1CYP11B1
SCHEMBL5697547 0.77 DAO (0.46) DAOGLAGSK3AGSK3BEPHX1
SCHEMBL5090668 0.75 GLA (0.51) DAOGLAGSK3BCYP19A1CYP11B1
SCHEMBL18896292 0.75 IDO1 (0.55) DAOCYP19A1ALDH1A1MAPTTSHR
SCHEMBL15023264 0.75 KIF11 (0.49) DAOGLAGSK3AGSK3BEPHX1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020185830-A1 CHARGED ION CHANNEL BLOCKERS AND METHODS FOR USE Nocion Therapeutics, Inc. (US) 2020-09-17 — — WO disclosed
US-9809590-B2 Substituted N-(1H-indazol-4-yl)imidazo[1,2-a]pyridine-3-carboxamide compounds as type III receptor tyrosine kinase inhibitors ARRAY BIOPHARMA INC. (US) 2017-11-07 — — US disclosed
US-9662335-B2 Heteroaryl substituted pyrrolo[2,3-B] pyridines and pyrrolo[2,3-B] pyrimidines as janus kinase inhibitors INCYTE HOLDINGS CORPORATION (US) 2017-05-30 — — US disclosed
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