Formamide

Formamide

SCHEMBL9729804

COc1ccc2c(c1)OCC(CNO)=C2.NC=O

nearest known ligand 0.56

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 2/20 0.56
ALOX5 P09917 3/20 0.49
NR1H4 Q96RI1 1/20 0.46
CA12 O43570 1/20 0.41
CA9 Q16790 1/20 0.41
MAPT P10636 3/20 0.40
NFKB1 P19838 3/20 0.40
NFKB2 Q00653 3/20 0.40
RELA Q04206 3/20 0.40
GAA P10253 2/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
MEN1 O00255 1/20 0.40
HSP90AA1 P07900 1/20 0.40
HTT P42858 1/20 0.40
KMT2A Q03164 1/20 0.40
MAPK1 P28482 1/20 0.39
PTGS1 P23219 1/20 0.38
PTGS2 P35354 1/20 0.38

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
Urea SCHEMBL9730233 0.87 MTNR1A (0.68) MTNR1AALOX5NR1H4MAPTGAA
Hydrochloric Acid SCHEMBL9729584 0.81 MTNR1A (0.73) MTNR1AALOX5NR1H4MAPTGAA
Formamide SCHEMBL9729455 0.78 ALOX5 (0.60) MTNR1AALOX5PTGS1PTGS2ALOX12
Formamide SCHEMBL9730206 0.76 ALOX5 (0.61) MTNR1AALOX5PTGS1PTGS2ALOX12
Formamide SCHEMBL9729689 0.76 ALOX5 (0.63) MTNR1AALOX5PTGS1PTGS2ALOX12
Formamide SCHEMBL9729746 0.76 ALOX5 (0.63) MTNR1AALOX5PTGS1PTGS2ALOX12
Formamide SCHEMBL9729701 0.75 ALOX5 (0.62) MTNR1AALOX5CA12CA9PTGS1
Formamide SCHEMBL9729960 0.75 ALOX5 (0.56) MTNR1AALOX5MAPTPTGS1PTGS2
SCHEMBL9729800 0.75 ALOX5 (0.83) MTNR1AALOX5PTGS1PTGS2ALOX12
SCHEMBL9729530 0.73 ALOX5 (0.54) MTNR1AALOX5NR1H4CA12CA9

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
US-5155130-A Lipoxygenase inhibitors CIBA-GEIGY CORPORATION (US) 1992-10-13 US disclosed
EP-0412939-A2 Certain benzopyran and benzothiopyran derivatives CIBA-GEIGY AG (CH) 1991-02-13 EP disclosed