SCHEMBL11738548

SCHEMBL11738548

COc1ccc2sc3ncc(C(=O)O)c(=O)n3c2c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 1/20 0.54
▸ SMN1; SMN2 Q16637 3/20 0.53
▸ MAPT P10636 3/20 0.52
▸ PARP15 Q460N3 1/20 0.45
▸ PARP10 Q53GL7 1/20 0.45
▸ TNKS2 Q9H2K2 1/20 0.45
▸ PARP2 Q9UGN5 1/20 0.45
▸ PTPN11 Q06124 1/20 0.43
▸ LMNA P02545 2/20 0.43
▸ PDE3B Q13370 1/20 0.42
▸ PDE3A Q14432 1/20 0.42
▸ HPGD P15428 5/20 0.42
▸ ALDH1A1 P00352 5/20 0.41
▸ KDM4E B2RXH2 5/20 0.41
▸ HSD17B10 Q99714 3/20 0.40
▸ RAB9A P51151 2/20 0.39
▸ TSHR P16473 1/20 0.39
▸ POLB P06746 3/20 0.39
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38

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
SCHEMBL11735261 0.84 KDM4E (0.48) TP53SMN1; SMN2MAPTPARP15PARP10
SCHEMBL11363546 0.82 KDM4E (0.41) TP53SMN1; SMN2MAPTPARP15PARP10
SCHEMBL11733455 0.81 KDM4E (0.43) TP53SMN1; SMN2MAPTLMNAHPGD
SCHEMBL11732938 0.79 TP53 (0.51) TP53SMN1; SMN2MAPTPARP15PARP10
SCHEMBL11734087 0.78 KDM4E (0.54) TP53SMN1; SMN2MAPTLMNAPDE3A
SCHEMBL11486320 0.76 TP53 (0.68) TP53SMN1; SMN2MAPTPTPN11LMNA
SCHEMBL10986041 0.74 PARP15 (0.42) TP53SMN1; SMN2MAPTPARP15PARP10
SCHEMBL20128396 0.73 ALDH1A1 (0.58) TP53SMN1; SMN2MAPTPARP15PARP10
SCHEMBL11351095 0.72 TP53 (0.48) TP53SMN1; SMN2MAPTPARP15PARP10
SCHEMBL11470557 0.71 TP53 (0.37) TP53SMN1; SMN2MAPTLMNAHPGD

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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