Formic Acid

Formic Acid

SCHEMBL27693239

O=C(NC1CCC1)c1ccc2ccccc2c1OCc1ccc(SC(F)(F)F)cc1.O=CO

nearest known ligand 0.47

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CXCR2 P25025 2/20 0.47
CNR2 P34972 7/20 0.43
CNR1 P21554 6/20 0.43
ALDH1A1 P00352 2/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
SGMS2 Q8NHU3 1/20 0.42
DRD4 P21917 3/20 0.41
MAOB P27338 1/20 0.40
IDH1 O75874 2/20 0.39
KDM4E B2RXH2 1/20 0.38
NPC1 O15118 1/20 0.38
NR1I2 O75469 1/20 0.38
HPGD P15428 1/20 0.38
AHR P35869 1/20 0.38
HTT P42858 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MRGPRX4 Q96LA9 1/20 0.37
ABHD12 Q8N2K0 1/20 0.37

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
SCHEMBL485894 0.96 CXCR2 (0.48) CXCR2CNR2CNR1ALDH1A1MEN1
SCHEMBL485837 0.94 ALDH1A1 (0.48) CXCR2CNR2CNR1ALDH1A1MEN1
Formic Acid SCHEMBL27713047 0.88 CXCR2 (0.58) CXCR2CNR2CNR1ALDH1A1MEN1
Formic Acid SCHEMBL27693212 0.88 CXCR2 (0.50) CXCR2CNR2CNR1ALDH1A1MEN1
Formic Acid SCHEMBL27712959 0.87 CNR2 (0.56) CXCR2CNR2CNR1ALDH1A1MEN1
Formic Acid SCHEMBL27693263 0.87 MEN1 (0.57) CXCR2CNR2CNR1ALDH1A1MEN1
Formic Acid SCHEMBL27693432 0.86 CXCR2 (0.46) CXCR2CNR2CNR1ALDH1A1MEN1
Formic Acid SCHEMBL27693230 0.85 DRD4 (0.52) CXCR2CNR2CNR1ALDH1A1MEN1
SCHEMBL485699 0.84 CXCR2 (0.62) CXCR2CNR2CNR1ALDH1A1MEN1
SCHEMBL486231 0.83 CXCR2 (0.52) CXCR2CNR2CNR1ALDH1A1MEN1

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-101094830-A Fused bicyclic carboxamide derivatives for use as CXCR2 inhibitors in the treatment of inflammation SANOFI AVENTIS DEUTSCHLAND (DE) 2007-12-26 CN claimed
CN-101094830-A Fused bicyclic carboxamide derivatives for use as CXCR2 inhibitors in the treatment of inflammation SANOFI AVENTIS DEUTSCHLAND (DE) 2007-12-26 CN disclosed