Formic Acid

Formic Acid

SCHEMBL5562674

CN1C[C@@H]2C[C@H]1CN2C(=O)c1n[nH]c2cc(-c3ccsc3)ccc12.O=CO

nearest known ligand 0.46

Full drug profile on Sugi Atlas →

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 3/20 0.46
▸ CDK2 P24941 1/20 0.46
▸ GSK3A P49840 1/20 0.46
▸ CYP1A2 P05177 1/20 0.43
▸ CHEK1 O14757 10/20 0.39
▸ GRM5 P41594 1/20 0.39
▸ HDAC1 Q13547 1/20 0.39
▸ HDAC2 Q92769 1/20 0.39
▸ HDAC8 Q9BY41 1/20 0.39
▸ USP30 Q70CQ3 1/20 0.36
▸ JAK2 O60674 2/20 0.36
▸ JAK1 P23458 2/20 0.36
▸ TYK2 P29597 2/20 0.36
▸ JAK3 P52333 2/20 0.36
▸ ATM Q13315 1/20 0.33
▸ DYRK1A Q13627 1/20 0.33
▸ TLR8 Q9NR97 1/20 0.33
▸ TLR7 Q9NYK1 1/20 0.33

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
SCHEMBL1176297 0.96 GSK3B (0.48) GSK3BCDK2GSK3ACYP1A2CHEK1
SCHEMBL5044516 0.96 GSK3B (0.48) GSK3BCDK2GSK3ACYP1A2CHEK1
Formic Acid SCHEMBL5561867 0.93 DYRK1A (0.40) GSK3BCDK2GSK3ACYP1A2CHEK1
SCHEMBL1175736 0.89 DYRK1A (0.42) GSK3BCDK2GSK3ACYP1A2CHEK1
SCHEMBL1176807 0.89 DYRK1A (0.42) GSK3BCDK2GSK3ACYP1A2CHEK1
Formic Acid SCHEMBL5562752 0.86 CHEK1 (0.38) GSK3BCHEK1GRM5USP30JAK2
Formic Acid SCHEMBL5562073 0.85 CDK2 (0.46) GSK3BCDK2GSK3ACHEK1HDAC1
Formic Acid SCHEMBL5563840 0.85 JAK2 (0.36) GSK3BGRM5USP30JAK2JAK1
Formic Acid SCHEMBL5562022 0.84 CHEK1 (0.38) GSK3BCDK2GSK3ACHEK1GRM5
Formic Acid SCHEMBL5563265 0.84 GSK3B (0.46) GSK3BGSK3ACHEK1USP30JAK2

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-1697378-B1 INDOLES, 1H-INDAZOLES, 1,2-BENZISOXAZOLES, AND 1,2-BENZISOTHIAZOLES, AND PREPARATION AND USES THEREOF MEMORY PHARM CORP (US) 2007-11-21 — — EP claimed
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