SCHEMBL10554651

SCHEMBL10554651

O=C(c1ccco1)c1cnn2c1NCCC2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.42
TSHR P16473 3/20 0.41
GAA P10253 2/20 0.41
ALDH1A1 P00352 6/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
TDP1 Q9NUW8 2/20 0.41
POLB P06746 1/20 0.41
THRB P10828 1/20 0.41
APEX1 P27695 1/20 0.41
RECQL P46063 1/20 0.41
KDM4E B2RXH2 4/20 0.41
PIM1 P11309 1/20 0.39
TP53 P04637 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.38
CYP3A4 P08684 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
MAPK1 P28482 1/20 0.37
LMNA P02545 2/20 0.37
HSD17B10 Q99714 1/20 0.37

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
SCHEMBL9869341 0.75 POLB (0.38) ALDH1A1MEN1KMT2ATDP1POLB
SCHEMBL9869560 0.74 RIPK2 (0.38) TSHRGAARECQLKDM4E
SCHEMBL18395054 0.68 LMNA (0.48) MAPTTSHRALDH1A1MEN1KMT2A
SCHEMBL2424941 0.65 KMT2A (0.55) MAPTTSHRALDH1A1MEN1KMT2A
Carbamic Acid SCHEMBL4197078 0.65 CCNT1 (0.30)
SCHEMBL13116713 0.65 MAPK1 (0.49) MAPTTSHRALDH1A1KMT2AKDM4E
SCHEMBL10556160 0.65 KDM4E (0.70) MAPTALDH1A1KDM4ETP53SMN1; SMN2
SCHEMBL181841 0.63 ALDH1A1 (0.74) MAPTALDH1A1MEN1KMT2ATDP1
SCHEMBL3111541 0.63 CCNT1 (0.37)
SCHEMBL11263201 0.63 ALDH1A1 (0.47) MAPTTSHRGAAALDH1A1MEN1

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-4847256-A HYPOTENSIVE AGENTS AMERICAN CYANAMID COMPANY (US) 1989-07-11 US disclosed
EP-0264773-A1 4,5-dihydro and 4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidines AMERICAN CYANAMID COMPANY (US) 1988-04-27 EP disclosed