SCHEMBL7732980

SCHEMBL7732980

O=C(Br)CCCc1ccccc1[N+](=O)[O-]

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.51
TSHR P16473 1/20 0.51
HPGD P15428 1/20 0.47
RAB9A P51151 5/20 0.47
NPC1 O15118 4/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
CYP2C19 P33261 2/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP1A2 P05177 1/20 0.44
SIGMAR1 Q99720 1/20 0.43
MAOB P27338 1/20 0.43
POLB P06746 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
SCHEMBL7723390 0.95 ALDH1A1 (0.50) ALDH1A1TSHRHPGDRAB9ANPC1
SCHEMBL7723468 0.94 ALDH1A1 (0.49) ALDH1A1TSHRHPGDRAB9ANPC1
SCHEMBL7733004 0.90 ALDH1A1 (0.55) ALDH1A1TSHRHPGDRAB9ANPC1
SCHEMBL1352270 0.85 ALDH1A1 (0.53) ALDH1A1TSHRHPGDRAB9ANPC1
SCHEMBL4657892 0.85 ALDH1A1 (0.53) ALDH1A1TSHRHPGDRAB9ANPC1
SCHEMBL4659331 0.85 ALDH1A1 (0.53) ALDH1A1TSHRHPGDRAB9ANPC1
SCHEMBL27930026 0.83 ALDH1A1 (0.51) ALDH1A1TSHRHPGDRAB9ANPC1
SCHEMBL2215516 0.83 ALDH1A1 (0.56) ALDH1A1TSHRHPGDRAB9ANPC1
SCHEMBL7731752 0.82 ALDH1A1 (0.59) ALDH1A1TSHRHPGDRAB9ANPC1
SCHEMBL28766884 0.81 ALDH1A1 (0.53) ALDH1A1TSHRHPGDRAB9ANPC1

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