SCHEMBL7306213

SCHEMBL7306213

CC(Cc1ccccc1[N+](=O)[O-])NCC(=O)O

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.49
CYP2C19 P33261 1/20 0.49
MEN1 O00255 4/20 0.48
KMT2A Q03164 4/20 0.48
ALDH1A1 P00352 5/20 0.47
KDM4E B2RXH2 2/20 0.46
LMNA P02545 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
MAPT P10636 1/20 0.44
THRB P10828 1/20 0.44
TSHR P16473 1/20 0.44

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
SCHEMBL7315267 0.79 FBP1 (0.40) POLBCYP2C19MEN1KMT2AALDH1A1
SCHEMBL10926755 0.79 POLB (0.50) POLBCYP2C19MEN1KMT2AALDH1A1
SCHEMBL4656956 0.78 TSHR (0.52) POLBCYP2C19MEN1KMT2AALDH1A1
SCHEMBL8986747 0.78 POLB (0.51) POLBCYP2C19MEN1KMT2AALDH1A1
SCHEMBL7424432 0.78 POLB (0.51) POLBCYP2C19MEN1KMT2AALDH1A1
SCHEMBL7424434 0.78 POLB (0.51) POLBCYP2C19MEN1KMT2AALDH1A1
SCHEMBL8986743 0.78 POLB (0.51) POLBCYP2C19MEN1KMT2AALDH1A1
SCHEMBL15226929 0.78 POLB (0.51) POLBCYP2C19MEN1KMT2AALDH1A1
Hydrochloric Acid SCHEMBL9219131 0.78 ALDH1A1 (0.50) POLBCYP2C19MEN1KMT2AALDH1A1
SCHEMBL7311696 0.77 ESR1 (0.44) POLBKMT2AALDH1A1KDM4ELMNA

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-RE31617-E ANTICOAGULANTS; HYPOTENSIVE AND BRONCHODILATOR AGENTS BRISTOL-MYERS COMPANY (US) 1984-06-26 US disclosed
US-3983120-A HYPOTENSIVES, ANTICLOTTING BRISTOL-MYERS COMPANY (US) 1976-09-28 US disclosed
US-3932407-A BRONCHODILATORS, HYPOTENSIVE AGENTS, ANTICOAGULANTS BRISTOL-MYERS COMPANY (US) 1976-01-13 US disclosed