SCHEMBL11208644

SCHEMBL11208644

CNc1nc(N2CCN(C=O)CC2)nc2sc3c(c12)CCCCC3

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
ALDH1A1 P00352 8/20 0.41
LMNA P02545 6/20 0.41
SMN1; SMN2 Q16637 6/20 0.41
MAPT P10636 6/20 0.41
HPGD P15428 5/20 0.41
HSD17B10 Q99714 5/20 0.41
ALOX15 P16050 5/20 0.41
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
POLB P06746 3/20 0.40
KDM4E B2RXH2 6/20 0.40
USP2 O75604 2/20 0.40
CNR1 P21554 2/20 0.39
GPR55 Q9Y2T6 2/20 0.39
HTT P42858 5/20 0.39
GAA P10253 4/20 0.39
TSHR P16473 3/20 0.39
MAPK1 P28482 2/20 0.39

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
SCHEMBL11201322 0.99 MEN1 (0.43) MEN1KMT2AALDH1A1LMNASMN1; SMN2
SCHEMBL11204627 0.97 MAPT (0.42) MEN1KMT2AALDH1A1LMNASMN1; SMN2
SCHEMBL11204226 0.88 ALDH1A1 (0.50) MEN1KMT2AALDH1A1LMNASMN1; SMN2
SCHEMBL11203500 0.85 ALDH1A1 (0.56) MEN1KMT2AALDH1A1LMNASMN1; SMN2
SCHEMBL11202830 0.84 MEN1 (0.58) MEN1KMT2AALDH1A1LMNASMN1; SMN2
SCHEMBL11197580 0.84 ALDH1A1 (0.57) MEN1KMT2AALDH1A1LMNASMN1; SMN2
SCHEMBL11202813 0.84 RAB9A (0.47) MEN1KMT2AALDH1A1LMNASMN1; SMN2
Hydrochloric Acid SCHEMBL11200717 0.83 MEN1 (0.57) MEN1KMT2AALDH1A1LMNASMN1; SMN2
SCHEMBL11200838 0.83 ALDH1A1 (0.43) MEN1KMT2AALDH1A1LMNASMN1; SMN2
SCHEMBL11202220 0.82 RAB9A (0.48) MEN1KMT2AALDH1A1LMNASMN1; 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0082023-A2 Thienopyrimidine derivatives, their preparation and their medical use SANKYO COMPANY LIMITED (JP) 1983-06-22 EP disclosed