SCHEMBL22057992

SCHEMBL22057992

CCOC(C)c1cn[nH]c1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.37
LMNA P02545 2/20 0.35
APEX1 P27695 1/20 0.35
PMP22 Q01453 1/20 0.35
NOS2 P35228 1/20 0.35
ACACB O00763 1/20 0.33
APLNR P35414 1/20 0.32
AKT1 P31749 2/20 0.31
HTR2A P28223 2/20 0.30
HTR2C P28335 2/20 0.30
HTR2B P41595 2/20 0.30
AKT2 P31751 1/20 0.30

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
SCHEMBL21210055 0.79 NOS2 (0.36) KCNH2LMNAAPEX1PMP22NOS2
SCHEMBL20076114 0.78 KCNH2 (0.35) KCNH2LMNAAPEX1PMP22NOS2
SCHEMBL22782145 0.77 NOS2 (0.38) NOS2ACACB
SCHEMBL7879844 0.75
SCHEMBL84454 0.73
SCHEMBL12464827 0.72 KCNH2 (0.41) KCNH2LMNAAPEX1PMP22NOS2
SCHEMBL19333946 0.72 KCNH2 (0.37) KCNH2LMNAAPEX1PMP22NOS2
Hydrochloric Acid SCHEMBL20897673 0.72
SCHEMBL6344963 0.72
SCHEMBL1338718 0.71 LMNA (0.43) LMNAHTR2AHTR2CHTR2B

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
CN-114466844-B N- (1H-imidazol-2-yl) benzamide compound and pharmaceutical composition comprising same as active ingredient 康佳诺医疗科技发展有限公司 2025-02-18 CN disclosed
WO-2020112706-A1 7-, 8-, and 10-SUBSTITUTED AMINO TRIAZOLO QUINAZOLINE DERIVATIVES AS ADENOSINE RECEPTOR ANTAGONISTS, PHARMACEUTICAL COMPOSITIONS AND THEIR USE MERCK SHARP & DOHME CORP. (US) 2020-06-04 WO disclosed