SCHEMBL7733006

SCHEMBL7733006

O=C(Br)CCc1cccc([N+](=O)[O-])c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 1/20 0.56
TSHR P16473 3/20 0.56
ALDH1A1 P00352 6/20 0.55
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
LMNA P02545 1/20 0.50
AGTR1 P30556 1/20 0.50
HTT P42858 1/20 0.50
FFAR1 O14842 1/20 0.50
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
CES2 O00748 1/20 0.49
CES1 P23141 1/20 0.49
MAPT P10636 1/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
HPGD P15428 1/20 0.48
TP53 P04637 1/20 0.47
ALOX15 P16050 1/20 0.47
KDM4E B2RXH2 1/20 0.47
MAPK1 P28482 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
SCHEMBL7733258 0.91 KMT2A (0.56) TRPV1TSHRALDH1A1MEN1KMT2A
SCHEMBL7723427 0.89 KMT2A (0.52) TRPV1TSHRALDH1A1MEN1KMT2A
SCHEMBL7732974 0.88 KMT2A (0.51) TRPV1TSHRALDH1A1MEN1KMT2A
SCHEMBL28094404 0.87 TRPV1 (0.59) TRPV1TSHRALDH1A1MEN1KMT2A
SCHEMBL27472434 0.85 TRPV1 (0.58) TRPV1TSHRALDH1A1MEN1KMT2A
SCHEMBL8871859 0.85 FFAR1 (0.66) TRPV1TSHRALDH1A1MEN1KMT2A
SCHEMBL81066 0.85 FFAR1 (0.66) TRPV1TSHRALDH1A1MEN1KMT2A
SCHEMBL621794 0.84 TRPV1 (0.56) TRPV1TSHRALDH1A1MEN1KMT2A
SCHEMBL5738137 0.84 ALDH1A1 (0.58) TRPV1TSHRALDH1A1MEN1KMT2A
SCHEMBL2407164 0.84 TSHR (0.60) TRPV1TSHRALDH1A1MEN1KMT2A

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