SCHEMBL8312356

SCHEMBL8312356

Nc1c(F)cc(Cl)c2nc(N3CCCC3)sc12

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.58
HPGD P15428 5/20 0.58
TSHR P16473 4/20 0.58
LMNA P02545 1/20 0.58
SMN1; SMN2 Q16637 11/20 0.51
RAB9A P51151 10/20 0.51
NPC1 O15118 6/20 0.51
L3MBTL1 Q9Y468 3/20 0.51
HSD17B10 Q99714 3/20 0.51
ALOX15 P16050 2/20 0.51
CASP3 P42574 2/20 0.45
SENP8 Q96LD8 2/20 0.45
SENP7 Q9BQF6 2/20 0.45
SENP6 Q9GZR1 2/20 0.45
TP53 P04637 2/20 0.42
MAPT P10636 3/20 0.40
KDM4E B2RXH2 2/20 0.40
MEN1 O00255 2/20 0.40
CASP1 P29466 2/20 0.40
CASP7 P55210 2/20 0.40

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
SCHEMBL9148367 0.76 SMN1; SMN2 (0.38) ALDH1A1LMNASMN1; SMN2L3MBTL1MAPT
SCHEMBL8690740 0.74 ALDH1A1 (0.75) ALDH1A1HPGDTSHRLMNASMN1; SMN2
SCHEMBL8312415 0.74 SMN1; SMN2 (0.37) ALDH1A1LMNASMN1; SMN2MAPTKDM4E
Hydrochloric Acid SCHEMBL9147162 0.74 SMN1; SMN2 (0.37) ALDH1A1HPGDLMNASMN1; SMN2HSD17B10
SCHEMBL8334566 0.73 TLR8 (0.36) ALDH1A1LMNASMN1; SMN2RAB9ANPC1
SCHEMBL8688371 0.72 ALDH1A1 (0.44) ALDH1A1HPGDTSHRLMNASMN1; SMN2
SCHEMBL8693243 0.70 RAB9A (0.52) ALDH1A1HPGDTSHRLMNASMN1; SMN2
SCHEMBL8331898 0.70 KDR (0.36) ALDH1A1SMN1; SMN2
SCHEMBL8329490 0.70 TLR8 (0.40) ALDH1A1SMN1; SMN2RAB9ANPC1L3MBTL1
SCHEMBL8310400 0.70 MAPT (0.36) ALDH1A1LMNASMN1; SMN2L3MBTL1MAPT

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-0958295-A1 SUBSTITUTED 2-(2,4(1H,3H)-PYRIMIDINDION-3-YL) BENZTHIAZOLES BASF AKTIENGESELLSCHAFT (DE) 1999-11-24 EP disclosed
WO-1998033796-A1 SUBSTITUTED 2-(2,4(1H,3H)-PYRIMIDINDION-3-YL) BENZTHIAZOLES BASF AKTIENGESELLSCHAFT (DE) 1998-08-06 WO disclosed