SCHEMBL7366592

SCHEMBL7366592

Nc1cc([N+](=O)[O-])c(N)c(S(=O)(=O)N2CCN(Cc3ccccc3)CC2)c1

nearest known ligand 0.69

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.69
KMT2A Q03164 4/20 0.57
ALDH1A1 P00352 6/20 0.53
KDM4E B2RXH2 3/20 0.53
TRPV4 Q9HBA0 1/20 0.53
CYP3A4 P08684 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
MAPT P10636 3/20 0.49
GAA P10253 2/20 0.49
MEN1 O00255 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
TSHR P16473 4/20 0.49
HSD17B10 Q99714 1/20 0.48
LMNA P02545 1/20 0.47
HTT P42858 1/20 0.47

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
SCHEMBL26258912 0.80 POLB (0.76) POLBKMT2AALDH1A1KDM4ETRPV4
SCHEMBL30343311 0.73 POLB (0.76) POLBKMT2AALDH1A1KDM4ECYP2C9
SCHEMBL29004530 0.73 POLB (0.76) POLBKMT2AALDH1A1KDM4ECYP2C9
SCHEMBL18177873 0.72 KMT2A (1.00) POLBKMT2AALDH1A1KDM4EMEN1
SCHEMBL3146247 0.70 KDM4E (0.55) POLBKMT2AALDH1A1KDM4ETRPV4
SCHEMBL2818868 0.70 ALDH1A1 (0.58) POLBKMT2AALDH1A1TRPV4CYP3A4
SCHEMBL7131206 0.69 KDM4E (0.78) POLBALDH1A1KDM4ETRPV4MAPT
SCHEMBL2836224 0.69 TSHR (0.72) ALDH1A1KDM4EGAAL3MBTL1TSHR
SCHEMBL6494527 0.69 MAPT (0.64) POLBKMT2AALDH1A1CYP3A4CYP2C9
SCHEMBL25617500 0.69 ALDH1A1 (0.60) POLBKMT2AALDH1A1TRPV4CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1999026932-A1 BY AMIDINO GROUP SUBSTITUTED HETEROCYCLIC DERIVATIVES AND THEIR USE AS ANTICOAGULANTS AXYS PHARMACEUTICALS, INC. (US) 1999-06-03 WO disclosed