SCHEMBL7734347

SCHEMBL7734347

O=C(Cl)CCCc1cccc([N+](=O)[O-])c1

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.57
KMT2A Q03164 2/20 0.56
MEN1 O00255 1/20 0.56
NPC1 O15118 1/20 0.56
RAB9A P51151 1/20 0.56
ALDH1A1 P00352 6/20 0.51
SIGMAR1 Q99720 2/20 0.51
TRPV1 Q8NER1 1/20 0.51
HPGD P15428 2/20 0.50
L3MBTL1 Q9Y468 1/20 0.48
LMNA P02545 2/20 0.47
CES2 O00748 1/20 0.46
CES1 P23141 1/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
KDM4E B2RXH2 1/20 0.46
POLB P06746 1/20 0.46
MAPT P10636 1/20 0.46
MAPK1 P28482 1/20 0.46

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
SCHEMBL7733084 0.95 TSHR (0.55) TSHRKMT2AMEN1NPC1RAB9A
SCHEMBL7732413 0.94 TSHR (0.54) TSHRKMT2AMEN1NPC1RAB9A
SCHEMBL2407164 0.91 TSHR (0.60) TSHRKMT2AMEN1NPC1RAB9A
SCHEMBL1538733 0.86 KMT2A (0.61) TSHRKMT2AMEN1NPC1RAB9A
SCHEMBL12473704 0.86 KMT2A (0.58) TSHRKMT2AMEN1NPC1RAB9A
SCHEMBL7733258 0.85 KMT2A (0.56) TSHRKMT2AMEN1NPC1RAB9A
SCHEMBL1108437 0.82 KMT2A (0.60) TSHRKMT2AMEN1NPC1RAB9A
SCHEMBL27590316 0.81 KMT2A (0.60) TSHRKMT2AMEN1NPC1RAB9A
SCHEMBL11863973 0.81 KMT2A (0.56) TSHRKMT2AMEN1NPC1RAB9A
SCHEMBL81026 0.81 TSHR (0.59) TSHRKMT2AMEN1NPC1RAB9A

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
US-6476266-B1 Diamino compound and production process for the same CHISSO CORPORATION (JP) 2002-11-05 US disclosed