SCHEMBL14345367

SCHEMBL14345367

COc1cccc(C(=O)Nc2ccc(Br)cn2)c1[N+](=O)[O-]

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 9/20 0.60
NPC1 O15118 8/20 0.60
MAPK1 P28482 2/20 0.56
TP53 P04637 2/20 0.56
RXFP1 Q9HBX9 2/20 0.56
XBP1 P17861 1/20 0.56
PPARG P37231 1/20 0.56
NPSR1 Q6W5P4 1/20 0.56
NCOR2 Q9Y618 1/20 0.56
MITF O75030 1/20 0.55
KMT2A Q03164 5/20 0.55
TDP1 Q9NUW8 1/20 0.55
MAPT P10636 5/20 0.54
SMN1; SMN2 Q16637 3/20 0.54
GAA P10253 2/20 0.53
PKM P14618 1/20 0.53
MEN1 O00255 3/20 0.51
LMNA P02545 2/20 0.51
HTT P42858 2/20 0.51
CYP1A2 P05177 1/20 0.51

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
SCHEMBL6107601 0.86 RAB9A (0.60) RAB9ANPC1TP53RXFP1KMT2A
SCHEMBL14366548 0.85 PKM (0.52) RAB9ANPC1TP53RXFP1NPSR1
SCHEMBL2989712 0.85 KMT2A (0.55) RAB9ANPC1MAPK1TP53RXFP1
SCHEMBL2978677 0.85 KMT2A (0.58) RAB9ANPC1MAPK1TP53RXFP1
SCHEMBL14345277 0.85 RAB9A (0.64) RAB9ANPC1MAPK1TP53RXFP1
SCHEMBL890667 0.84 RAB9A (0.57) RAB9ANPC1MAPK1TP53MITF
SCHEMBL27453745 0.82 NPC1 (0.72) RAB9ANPC1TP53RXFP1KMT2A
SCHEMBL14345211 0.82 ALDH1A1 (0.59) RAB9ANPC1MAPK1TP53KMT2A
SCHEMBL14345243 0.81 PKM (0.48) RAB9ANPC1TP53RXFP1NPSR1
SCHEMBL890832 0.78 KDM4E (0.73) RAB9ANPC1MAPK1TP53RXFP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7312235-B2 Benzamide inhibitors of factor Xa MILLENNIUM PHARMACEUTICALS, INC. (US) 2007-12-25 US disclosed
US-7312235-B2 Benzamide inhibitors of factor Xa MILLENNIUM PHARMACEUTICALS, INC. (US) 2007-12-25 US disclosed