SCHEMBL9629623

SCHEMBL9629623

Cc1ccc(Cn2c(NC3CCCN(C(C)C)CC3)nc3cccnc32)o1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
WHR1 P49842 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
GBA1 P04062 1/20 0.39
NSD2 O96028 1/20 0.38
EHMT2 Q96KQ7 2/20 0.37
DNMT1 P26358 1/20 0.37
GPR4 P46093 1/20 0.36
ALDH1A1 P00352 3/20 0.36
MAPT P10636 2/20 0.36
F10 P00742 4/20 0.35
TP53 P04637 2/20 0.35
GAA P10253 2/20 0.35
KDM4E B2RXH2 1/20 0.35
TSHR P16473 1/20 0.35
POLB P06746 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
HPGD P15428 1/20 0.34
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33

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
SCHEMBL9687066 0.87 RET (0.39) MEN1KMT2AEHMT2DNMT1ALDH1A1
Oxalic Acid SCHEMBL9630637 0.85 MEN1 (0.42) MEN1KMT2AALDH1A1MAPTTP53
SCHEMBL9630536 0.85 MEN1 (0.42) MEN1KMT2AALDH1A1MAPTTP53
SCHEMBL9629492 0.85 MEN1 (0.41) MEN1KMT2AALDH1A1MAPTTP53
Oxalic Acid SCHEMBL9630643 0.85 MEN1 (0.42) MEN1KMT2AALDH1A1MAPTTP53
SCHEMBL9630539 0.83 NOS2 (0.48) MEN1KMT2AALDH1A1MAPTKDM4E
SCHEMBL9630174 0.83 MEN1 (0.39) MEN1KMT2AEHMT2DNMT1ALDH1A1
Noberastine SCHEMBL18424 0.83 NR4A2 (0.45) MEN1KMT2AALDH1A1MAPTTP53
Oxalic Acid SCHEMBL9807286 0.82 ALDH1A1 (0.41) MEN1KMT2AALDH1A1MAPTTP53
Oxalic Acid SCHEMBL9807288 0.82 ALDH1A1 (0.41) MEN1KMT2AALDH1A1MAPTTP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5151424-A Antiallergens or antihistamines JANSSEN PHARMACEUTICA N.V. (BE) 1992-09-29 US disclosed
EP-0297661-B1 [(Bicyclic heterocyclyl)methyl and -hetero] substituted hexahydro-1H-azepines and pyrrolidines JANSSEN PHARMACEUTICA N.V. (BE) 1992-09-16 EP disclosed
US-4988689-A Antiallergens, antihistamines JANSSEN PHARMACEUTICA N.V. (BE) 1991-01-29 US disclosed
EP-0297661-A1 [(Bicyclic heterocyclyl)methyl and -hetero] substituted hexahydro-1H-azepines and pyrrolidines JANSSEN PHARMACEUTICA N.V. (BE) 1989-01-04 EP disclosed