Methylamine

Methylamine

SCHEMBL7004401

CN.CNc1c(F)cc2c(=O)c(C(=O)O)cn(-c3cc(N)c(F)cc3F)c2c1[N+](=O)[O-]

nearest known ligand 0.51

Full drug profile on Sugi Atlas →

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 4/20 0.51
TOP1 P11387 11/20 0.45
TOP2A P11388 9/20 0.40
POLB P06746 2/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HSP90AA1 P07900 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
HTT P42858 1/20 0.35
KMT2A Q03164 1/20 0.35
TOP2B Q02880 1/20 0.35
CYP3A4 P08684 2/20 0.35
CYP2C9 P11712 2/20 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
SCHEMBL8180660 0.99 PIM1 (0.52) PIM1TOP1TOP2APOLBKDM4E
SCHEMBL7010438 0.92 PIM1 (0.47) PIM1TOP1TOP2APOLBKDM4E
SCHEMBL7004407 0.88 PIM1 (0.42) PIM1TOP1TOP2APOLBKDM4E
SCHEMBL7013639 0.86 TOP1 (0.53) PIM1TOP1TOP2APOLBKDM4E
SCHEMBL7004402 0.85 TOP1 (0.49) PIM1TOP1TOP2APOLBKDM4E
SCHEMBL7007296 0.84 TOP1 (0.46) PIM1TOP1TOP2APOLBKDM4E
SCHEMBL7014048 0.84 TOP1 (0.46) PIM1TOP1TOP2APOLBKDM4E
SCHEMBL7012923 0.84 TOP1 (0.46) PIM1TOP1TOP2APOLBKDM4E
SCHEMBL7009919 0.84 TOP1 (0.47) PIM1TOP1TOP2APOLBKDM4E
SCHEMBL7009640 0.84 TOP1 (0.44) PIM1TOP1TOP2APOLBKDM4E

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
EP-0945435-B1 NOVEL PYRIDONECARBOXYLIC ACID DERIVATIVES OR SALTS THEREOF AND DRUGS CONTAINING THE SAME AS THE ACTIVE INGREDIENT WAKUNAGA PHARMA CO LTD (JP) 2003-08-13 EP disclosed
EP-0945435-A1 NOVEL PYRIDONECARBOXYLIC ACID DERIVATIVES OR SALTS THEREOF AND DRUGS CONTAINING THE SAME AS THE ACTIVE INGREDIENT WAKUNAGA PHARMACEUTICAL CO., LTD. (JP) 1999-09-29 EP disclosed