SCHEMBL11735594

SCHEMBL11735594

O=C(Nc1nnn[nH]1)c1cnc2sc3cc(Cl)c([N+](=O)[O-])cc3n2c1=O

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ ALPL P05186 2/20 0.36
▸ TP53 P04637 1/20 0.34
▸ MAPT P10636 3/20 0.33
▸ KMT2A Q03164 3/20 0.33
▸ KDM4E B2RXH2 2/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.32
▸ MCL1 Q07820 1/20 0.31

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
SCHEMBL11732779 0.90 TP53 (0.35) SMN1; SMN2TP53MAPTKMT2AKDM4E
SCHEMBL11773941 0.90 ALPL (0.36) SMN1; SMN2ALPLTP53MAPTKDM4E
SCHEMBL11737536 0.90 MAPT (0.38) SMN1; SMN2TP53MAPTKDM4ENPC1
SCHEMBL11730627 0.89 SMN1; SMN2 (0.41) SMN1; SMN2ALPLTP53MAPTKMT2A
SCHEMBL11739172 0.87 ALDH1A1 (0.36) SMN1; SMN2TP53MAPTKDM4ENPC1
SCHEMBL11741869 0.87 TP53 (0.40) SMN1; SMN2TP53MAPTKDM4ETSHR
SCHEMBL11735866 0.86 TP53 (0.37) SMN1; SMN2TP53MAPTKMT2AKDM4E
SCHEMBL11739842 0.86 TP53 (0.39) SMN1; SMN2TP53MAPTKMT2ANPC1
SCHEMBL11733154 0.85 SMN1; SMN2 (0.41) SMN1; SMN2TP53MAPTKDM4ENPC1
SCHEMBL11735715 0.85 MAPT (0.40) SMN1; SMN2TP53MAPTKDM4ENPC1

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
US-4041163-A N-(5-Tetrazolyl)-4-oxo-4H-pyrimido(2,1-b)benzothiazole-3-carboxamide antiallergy agents PFIZER INC. (US) 1977-08-09 — — US disclosed
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