SCHEMBL7973753

SCHEMBL7973753

COc1cc(C(=O)N(C)c2ccccc2N2CCCCC2)ccc1C(=O)Nc1cccc2[nH]c(C)nc12

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.46
MEN1 O00255 3/20 0.46
BRPF1 P55201 6/20 0.44
BRD4 O60885 4/20 0.44
MAPT P10636 2/20 0.44
ALDH1A1 P00352 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
RXFP1 Q9HBX9 1/20 0.43
GAA P10253 2/20 0.42
BRD1 O95696 3/20 0.41
GFER P55789 1/20 0.41
BRD9 Q9H8M2 2/20 0.41
BRPF3 Q9ULD4 2/20 0.41
TAF1 P21675 1/20 0.40
CECR2 Q9BXF3 1/20 0.40
BRD7 Q9NPI1 1/20 0.40
POLB P06746 1/20 0.40
ATM Q13315 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40

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
Hydrochloric Acid SCHEMBL7598631 0.99 KMT2A (0.45) KMT2AMEN1BRPF1BRD4MAPT
SCHEMBL7594888 0.93 KMT2A (0.45) KMT2AMEN1BRPF1BRD4MAPT
Hydrochloric Acid SCHEMBL7965581 0.93 KMT2A (0.44) KMT2AMEN1BRPF1BRD4MAPT
SCHEMBL7477821 0.92 BRPF1 (0.45) KMT2AMEN1BRPF1BRD4MAPT
Hydrochloric Acid SCHEMBL7561848 0.91 BRPF1 (0.45) KMT2AMEN1BRPF1BRD4MAPT
SCHEMBL7480558 0.85 BRPF1 (0.44) KMT2AMEN1BRPF1BRD4MAPT
Hydrochloric Acid SCHEMBL7481492 0.84 BRPF1 (0.43) KMT2AMEN1BRPF1BRD4MAPT
SCHEMBL7481778 0.84 BRPF1 (0.44) KMT2AMEN1BRPF1MAPTALDH1A1
SCHEMBL7971993 0.81 TUBB4A (0.36) KMT2AMEN1MAPTALDH1A1NPSR1
SCHEMBL7953969 0.81 TUBB4A (0.40) KMT2AMEN1MAPTALDH1A1NPSR1

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-6207693-B1 Benzamide derivatives having a vasopressin antagonistic activity FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-03-27 US disclosed