SCHEMBL7370748

SCHEMBL7370748

CC(=O)NCc1ccc(N)c([N+](=O)[O-])c1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.49
TSHR P16473 1/20 0.49
TDP1 Q9NUW8 3/20 0.47
KMT2A Q03164 3/20 0.47
MEN1 O00255 2/20 0.47
CYP3A4 P08684 2/20 0.47
MAPT P10636 2/20 0.47
ALDH1A1 P00352 2/20 0.47
POLB P06746 1/20 0.47
ALOX15 P16050 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.44
ADRB2 P07550 1/20 0.43
PTPN1 P18031 1/20 0.43
HPGD P15428 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C19 P33261 1/20 0.43
HDAC1 Q13547 1/20 0.43
KDM4E B2RXH2 1/20 0.43

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
SCHEMBL30286022 0.84 POLB (0.49) LMNATSHRKMT2AMEN1MAPT
SCHEMBL7403833 0.81 ADRB2 (0.44) LMNATSHRTDP1KMT2AMEN1
SCHEMBL15068128 0.80 TSHR (0.53) LMNATSHRTDP1KMT2AMEN1
SCHEMBL5987876 0.80 KMT2A (0.42) LMNATDP1KMT2AMEN1CYP3A4
SCHEMBL7366509 0.79 KMT2A (0.53) TSHRKMT2AMAPTALDH1A1POLB
SCHEMBL1804701 0.78 NPC1 (0.58) KMT2AMEN1MAPTALDH1A1POLB
SCHEMBL6822002 0.77 ALDH1A1 (0.52) KMT2AMEN1CYP3A4MAPTALDH1A1
SCHEMBL10665226 0.77 LMNA (0.49) LMNATSHRTDP1KMT2AMEN1
SCHEMBL7425083 0.77 ALDH1A1 (0.57) LMNATSHRTDP1KMT2AMEN1
SCHEMBL4588943 0.76 TDP1 (0.58) LMNATSHRTDP1KMT2AMEN1

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