SCHEMBL7501376

SCHEMBL7501376

COc1ccccc1C(=O)Nc1ncccc1C(=O)Cl

nearest known ligand 0.63

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.63
MEN1 O00255 5/20 0.63
RAB9A P51151 5/20 0.63
NPC1 O15118 4/20 0.63
SMN1; SMN2 Q16637 3/20 0.63
GAA P10253 2/20 0.63
TP53 P04637 2/20 0.63
RXFP1 Q9HBX9 2/20 0.55
POLB P06746 1/20 0.54
CTSD P07339 1/20 0.54
KCNK3 O14649 1/20 0.52
KCNK9 Q9NPC2 1/20 0.52
BRD4 O60885 1/20 0.52
MAPT P10636 4/20 0.51
MAPK1 P28482 2/20 0.51
TSHR P16473 1/20 0.51
HSD17B10 Q99714 1/20 0.51
JAK2 O60674 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50

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
SCHEMBL18640842 0.88 KMT2A (0.64) KMT2AMEN1RAB9ANPC1SMN1; SMN2
SCHEMBL7570263 0.83 KCNK3 (0.50) KMT2AMEN1RAB9ANPC1SMN1; SMN2
SCHEMBL8800854 0.82 MEN1 (0.58) KMT2AMEN1SMN1; SMN2TP53POLB
SCHEMBL7493834 0.82 KMT2A (0.65) KMT2AMEN1RAB9ANPC1SMN1; SMN2
SCHEMBL7570572 0.77 NAMPT (0.55) KMT2AMEN1RAB9ANPC1SMN1; SMN2
SCHEMBL29764989 0.77 RAB9A (1.00) KMT2AMEN1RAB9ANPC1SMN1; SMN2
SCHEMBL14637696 0.77 RAB9A (1.00) KMT2AMEN1RAB9ANPC1SMN1; SMN2
SCHEMBL7568546 0.77 CHRNB2 (0.62) KMT2AMEN1GAATP53POLB
SCHEMBL15528360 0.76 HTT (0.60) KMT2AMEN1RAB9AGAARXFP1
Hydrochloric Acid SCHEMBL29765136 0.76 RAB9A (0.97) KMT2AMEN1RAB9ANPC1SMN1; SMN2

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-1997049708-A9 TRICYCLIC BENZAZEPINE VASOPRESSIN ANTAGONISTS 1998-05-22 WO disclosed