SCHEMBL5992944

SCHEMBL5992944

O=C(CSc1nc2c([nH]c3ccccc32)c(=O)n1-c1ccccc1)N1CCN(c2ccccc2)CC1

nearest known ligand 0.86

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 7/20 0.86
▸ KMT2A Q03164 3/20 0.84
▸ ALDH1A1 P00352 1/20 0.84
▸ TP53 P04637 8/20 0.84
▸ LMNA P02545 5/20 0.79
▸ RXFP1 Q9HBX9 1/20 0.75
▸ TDP1 Q9NUW8 1/20 0.75
▸ KDM4E B2RXH2 1/20 0.71
▸ MEN1 O00255 1/20 0.71
▸ ALOX15 P16050 1/20 0.71
▸ L3MBTL1 Q9Y468 1/20 0.71
▸ TSHR P16473 1/20 0.68
▸ MAPT P10636 1/20 0.68
▸ THRB P10828 1/20 0.67

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
SCHEMBL16896188 0.85 POLB (0.76) POLBKMT2AALDH1A1TP53LMNA
SCHEMBL20096187 0.83 ALDH1A1 (0.85) POLBKMT2AALDH1A1TP53LMNA
SCHEMBL16903565 0.80 MAPT (0.80) TP53LMNARXFP1MAPTTHRB
SCHEMBL16896230 0.79 TP53 (0.73) POLBKMT2AALDH1A1TP53LMNA
SCHEMBL16896033 0.78 LMNA (0.70) POLBALDH1A1TP53LMNAMAPT
SCHEMBL16903570 0.78 MAPT (0.66) POLBKMT2AALDH1A1TP53LMNA
SCHEMBL16896219 0.78 LMNA (0.82) POLBKMT2ATP53LMNAMEN1
SCHEMBL16896049 0.78 LMNA (0.85) POLBKMT2ATP53LMNAMEN1
SCHEMBL16896209 0.77 LMNA (0.87) POLBKMT2ATP53LMNAMEN1
SCHEMBL16896100 0.77 LMNA (0.87) POLBKMT2ATP53LMNAMEN1

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
WO-2012065139-A2 ENTPD5 INHIBITORS BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2012-05-18 — — WO disclosed
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