SCHEMBL8127355

SCHEMBL8127355

Cc1cncnc1Nc1ccc(C(=O)CC2CCNCC2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 6/20 0.43
CYP11B1 P15538 3/20 0.43
CYP1A2 P05177 4/20 0.41
ALDH1A1 P00352 3/20 0.41
TSHR P16473 2/20 0.41
HSD17B10 Q99714 2/20 0.41
USP2 O75604 1/20 0.41
CYP3A4 P08684 3/20 0.39
MEN1 O00255 1/20 0.39
CYP2D6 P10635 1/20 0.39
KMT2A Q03164 1/20 0.39
MAOA P21397 1/20 0.38
CLK4 Q9HAZ1 1/20 0.37
PTK2 Q05397 1/20 0.37
KHK P50053 1/20 0.37
SUV39H1 O43463 1/20 0.36
PRMT1 Q99873 1/20 0.36
SMYD3 Q9H7B4 1/20 0.36
RPS6KB1 P23443 2/20 0.36
ALOX15 P16050 1/20 0.36

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
SCHEMBL8125537 0.84 CYP11B2 (0.51) CYP11B2CYP11B1BRD4
SCHEMBL647782 0.80 BCHE (0.46)
SCHEMBL27334234 0.80 CYP11B2 (0.37) CYP11B2CYP11B1CYP1A2ALDH1A1TSHR
SCHEMBL8125432 0.79 TSHR (0.39) CYP11B2CYP11B1TSHRKHKSUV39H1
SCHEMBL8132745 0.78 KDM4E (0.46) ALDH1A1CYP2D6
Hydrochloric Acid SCHEMBL8129126 0.78 TSHR (0.39) CYP11B2CYP11B1TSHRKHKSUV39H1
SCHEMBL8127220 0.77 HSD17B10 (0.38) CYP1A2ALDH1A1HSD17B10CYP3A4CYP2D6
Hydrochloric Acid SCHEMBL11094058 0.71 KMT2A (0.59) MEN1CYP2D6KMT2AMAOAKHK
SCHEMBL5352956 0.71 BRD4 (0.48) CYP1A2ALDH1A1HSD17B10USP2CYP3A4
SCHEMBL8125646 0.70 MEN1 (0.46) MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0664291-B1 PYRIMIDINE COMPOUND UBE INDUSTRIES (JP) 2000-07-19 EP disclosed
US-5610303-A MONOAMIDE OXIDASE INHIBITORS UBE INDUSTRIES, LTD. (JP) 1997-03-11 US disclosed
EP-0664291-A1 PYRIMIDINE COMPOUND UBE INDUSTRIES, LTD. (JP) 1995-07-26 EP disclosed