SCHEMBL7015591

SCHEMBL7015591

CCc1c(C)nc2n(Cc3ccc(C(=O)c4ccc(C(=O)N5CCN(c6ccccc6)CC5)cc4)cc3)ccn2c1=O

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
POLB P06746 1/20 0.50
LMNA P02545 5/20 0.46
SMN1; SMN2 Q16637 4/20 0.46
PKM P14618 2/20 0.46
NPSR1 Q6W5P4 2/20 0.46
USP2 O75604 2/20 0.46
HPGD P15428 1/20 0.46
MAPK10 P53779 1/20 0.46
HSD17B10 Q99714 1/20 0.46
THRB P10828 2/20 0.46
TP53 P04637 2/20 0.45
ALDH1A1 P00352 2/20 0.45
HTT P42858 1/20 0.45
RAB9A P51151 1/20 0.44
MAPT P10636 1/20 0.43

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
SCHEMBL7015781 0.87 KMT2A (0.45) MEN1KMT2APOLBLMNASMN1; SMN2
Hydrochloric Acid SCHEMBL7017592 0.86 KMT2A (0.44) MEN1KMT2APOLBLMNASMN1; SMN2
SCHEMBL7016720 0.83 SRD5A2 (0.42) MEN1KMT2APOLBLMNASMN1; SMN2
SCHEMBL7010932 0.81 CYP19A1 (0.42) MEN1KMT2APOLBLMNASMN1; SMN2
SCHEMBL7015350 0.81 TP53 (0.44) KMT2APOLBTHRBTP53RAB9A
Hydrochloric Acid SCHEMBL7021475 0.80 L3MBTL3 (0.50) MEN1KMT2AALDH1A1
SCHEMBL7016860 0.78 KDM4E (0.43) SMN1; SMN2ALDH1A1HTTMAPT
SCHEMBL7011674 0.77 RAB9A (0.39) MEN1KMT2ALMNASMN1; SMN2TP53
SCHEMBL7016868 0.73 ENPP2 (0.42) MEN1KMT2APOLBLMNASMN1; SMN2
SCHEMBL27629593 0.73 KMT2A (0.71) MEN1KMT2APOLBLMNASMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0733633-B1 Heterocyclic compounds, their production and use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2003-05-28 EP disclosed
EP-0733633-A1 Heterocyclic compounds, their production and use TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1996-09-25 EP disclosed