SCHEMBL9722701

SCHEMBL9722701

Cc1cc(Br)cc(C)c1OCC(=O)Nc1ccccn1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.60
KMT2A Q03164 4/20 0.60
NPC1 O15118 8/20 0.57
RAB9A P51151 7/20 0.57
TP53 P04637 3/20 0.57
PKM P14618 2/20 0.57
SMN1; SMN2 Q16637 2/20 0.54
GAA P10253 1/20 0.54
KDM4E B2RXH2 2/20 0.54
THRB P10828 1/20 0.54
HPGD P15428 2/20 0.53
MITF O75030 1/20 0.53
XBP1 P17861 1/20 0.53
LMNA P02545 2/20 0.53
ALOX15 P16050 1/20 0.53
TSHR P16473 1/20 0.53
CASP3 P42574 1/20 0.53
SENP7 Q9BQF6 1/20 0.53
SENP6 Q9GZR1 1/20 0.53
POLB P06746 4/20 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
SCHEMBL9722717 0.85 NPC1 (0.59) MEN1KMT2ANPC1RAB9ATP53
SCHEMBL9722716 0.80 RAB9A (0.61) MEN1KMT2ANPC1RAB9ATP53
SCHEMBL9722686 0.76 RAB9A (0.73) MEN1KMT2ANPC1RAB9ATP53
SCHEMBL969459 0.76 NPC1 (0.71) MEN1KMT2ANPC1RAB9ATP53
SCHEMBL9722714 0.76 RAB9A (0.64) MEN1KMT2ANPC1RAB9ATP53
SCHEMBL9722691 0.75 NPC1 (0.80) MEN1KMT2ANPC1RAB9ATP53
SCHEMBL12461472 0.74 GAA (0.65) MEN1KMT2ANPC1RAB9ATP53
Hydrochloric Acid SCHEMBL7014888 0.74 GAA (0.69) MEN1KMT2ANPC1RAB9ATP53
SCHEMBL15517970 0.73 KMT2A (0.61) MEN1KMT2ASMN1; SMN2KDM4ELMNA
SCHEMBL9722721 0.73 MEN1 (0.57) MEN1KMT2ASMN1; SMN2LMNAPOLB

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-5139564-A Applying postemergence PARK SANG W (KR) 1992-08-18 US claimed
US-5139564-A Applying postemergence PARK SANG W (KR) 1992-08-18 US disclosed