Formic Acid

Formic Acid

SCHEMBL28299871

Cc1cccnc1C#N.O=CO

nearest known ligand 0.46

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLCG1 P19174 1/20 0.44
ELANE P08246 5/20 0.39
NOS3 P29474 1/20 0.38
NOS1 P29475 1/20 0.38
NOS2 P35228 1/20 0.38
FDPS P14324 2/20 0.38
USP8 P40818 1/20 0.36
MAPT P10636 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
MAPK1 P28482 1/20 0.36
CYP2C19 P33261 1/20 0.36
PLAU P00749 1/20 0.36
KDM4E B2RXH2 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
CYP11B1 P15538 1/20 0.36
TSHR P16473 1/20 0.35
ALDH1A1 P00352 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
SCHEMBL130043 0.89
SCHEMBL29435709 0.89
SCHEMBL14484928 0.73 LRRK2 (0.47) PLCG1NOS3NOS1NOS2USP8
SCHEMBL2520189 0.72
SCHEMBL14659250 0.72 TRIM24 (0.52) PLCG1ELANEMAPTMAPK1KDM4E
Formic Acid SCHEMBL27896714 0.72 LMNA (0.46) NOS3NOS1NOS2FDPSMAPT
Formic Acid SCHEMBL28014997 0.72 TRIM24 (0.52) NOS3NOS1NOS2FDPSMAPT
Formic Acid SCHEMBL28079694 0.72 NAPRT (0.46) NOS3NOS1NOS2FDPSMAPT
SCHEMBL1133218 0.71 USP8 (0.50) PLCG1NOS3NOS1NOS2USP8
Formic Acid SCHEMBL30763006 0.70 RAB9A (0.32) PLCG1ELANEKDM4ENPC1RAB9A

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
CN-107108652-B BACE1 inhibitors 豪夫迈·罗氏有限公司 2019-06-18 CN disclosed