SCHEMBL10496017

SCHEMBL10496017

O=C(CCCBr)CCC[N+](=O)[O-]

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.43
LMNA P02545 1/20 0.43
BLM P54132 1/20 0.43
HBB P68871 1/20 0.43
KMT2A Q03164 1/20 0.43
HIF1A Q16665 1/20 0.43
ALDH1A1 P00352 3/20 0.39
TDP1 Q9NUW8 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
SCHEMBL8795227 0.84 MEN1 (0.44) MEN1LMNABLMHBBKMT2A
SCHEMBL9680510 0.79 ALDH1A1 (0.52) MEN1LMNABLMHBBKMT2A
SCHEMBL6074622 0.78 ALDH1A1 (0.56) MEN1LMNABLMHBBKMT2A
SCHEMBL6355871 0.78
SCHEMBL540009 0.78 LMNA (0.39) MEN1LMNAKMT2AALDH1A1TDP1
SCHEMBL10343485 0.77 LMNA (0.58) MEN1LMNABLMHBBKMT2A
SCHEMBL11782071 0.77 ALDH1A1 (0.45) MEN1LMNABLMHBBKMT2A
SCHEMBL6073675 0.76 ALDH1A1 (0.52) MEN1LMNABLMHBBKMT2A
SCHEMBL11032946 0.75 ALDH1A1 (0.65) MEN1KMT2AALDH1A1TDP1
SCHEMBL19283724 0.74 LMNA (0.54) MEN1LMNABLMHBBKMT2A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4871848-A OIL, GAS WELLS CORROSION INHIBITORS THE DOW CHEMICAL COMPANY (US) 1989-10-03 US disclosed
US-4740320-A REACTION OF NITROGEN-CONTAINING AROMATIC HETEROCYCLIC COMPONENT, KETONE OR ALDEHYDE, AMINE OR POLYAMINE THE DOW CHEMICAL COMPANY (US) 1988-04-26 US disclosed
US-4724003-A Asphalt compositions containing anti-stripping additives prepared from hydrocarbyl substituted nitrogen-containing aromatic heterocyclic compounds, aldehydes or ketones and amines THE DOW CHEMICAL COMPANY (US) 1988-02-09 US disclosed