SCHEMBL11732020

SCHEMBL11732020

S=C(Nc1nc2ccccc2[nH]1)c1ccsn1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.50
CYP3A4 P08684 1/20 0.50
NPC1 O15118 11/20 0.49
RAB9A P51151 10/20 0.49
SMN1; SMN2 Q16637 6/20 0.49
KDM4E B2RXH2 2/20 0.49
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
PKM P14618 4/20 0.48
MAOB P27338 1/20 0.48
ADORA2A P29274 1/20 0.48
HSD17B10 Q99714 2/20 0.45
ALDH1A1 P00352 1/20 0.45
MAPK1 P28482 1/20 0.45
TP53 P04637 2/20 0.44
SCD O00767 1/20 0.44
GAA P10253 1/20 0.44
OPRK1 P41145 1/20 0.44
KLF5 Q13887 1/20 0.44
POLB P06746 1/20 0.44

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
SCHEMBL11731331 0.84 NPC1 (0.62) LMNACYP3A4NPC1RAB9ASMN1; SMN2
SCHEMBL11730171 0.80 LMNA (0.49) LMNACYP3A4NPC1RAB9ASMN1; SMN2
SCHEMBL11729485 0.80 LMNA (0.49) LMNACYP3A4NPC1RAB9ASMN1; SMN2
SCHEMBL11734953 0.78 NPC1 (0.59) LMNACYP3A4NPC1RAB9ASMN1; SMN2
SCHEMBL11733232 0.77 CYP3A4 (0.49) LMNACYP3A4NPC1RAB9ASMN1; SMN2
SCHEMBL11734676 0.77 NPC1 (0.68) LMNACYP3A4NPC1RAB9ASMN1; SMN2
SCHEMBL11736608 0.77 NPC1 (0.71) LMNACYP3A4NPC1RAB9ASMN1; SMN2
SCHEMBL11730127 0.76 LMNA (0.51) LMNACYP3A4NPC1RAB9ASMN1; SMN2
SCHEMBL11737313 0.76 NPC1 (0.51) LMNACYP3A4NPC1RAB9ASMN1; SMN2
SCHEMBL11732709 0.75 NPC1 (0.50) LMNACYP3A4NPC1RAB9ASMN1; 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4009164-A Novel 2-substituted-1,2,4-thiadiazole-[2,3-a]-benzimidazoles and process for their preparation SYNTEX (U.S.A.) INC. (US) 1977-02-22 US disclosed
US-3976654-A FUNGICIDE SYNTEX (U.S.A.) INC. (US) 1976-08-24 US disclosed
US-3946031-A FUNGICIDES SYNTEX INC. (US) 1976-03-23 US disclosed