SCHEMBL14291863

SCHEMBL14291863

Cc1cccc(N2C(=N)S/C(=C/c3ccc(-c4ccccc4)o3)C2=O)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LCK P06239 1/20 0.59
▸ POLB P06746 7/20 0.56
▸ MAPT P10636 7/20 0.56
▸ KMT2A Q03164 7/20 0.56
▸ MEN1 O00255 6/20 0.56
▸ TDP1 Q9NUW8 5/20 0.56
▸ ALDH1A1 P00352 4/20 0.56
▸ L3MBTL1 Q9Y468 4/20 0.56
▸ NSD2 O96028 2/20 0.56
▸ ITGB2 P05107 2/20 0.55
▸ ITGAM P11215 2/20 0.55
▸ LMNA P02545 2/20 0.53
▸ RAB9A P51151 2/20 0.53
▸ PKM P14618 3/20 0.52
▸ HPGD P15428 2/20 0.52
▸ SMN1; SMN2 Q16637 2/20 0.52
▸ OPRK1 P41145 1/20 0.52
▸ BLM P54132 1/20 0.52
▸ MDM2 Q00987 1/20 0.52
▸ MCL1 Q07820 1/20 0.52

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
SCHEMBL21760925 0.79 MEN1 (0.63) LCKPOLBMAPTKMT2AMEN1
SCHEMBL29466154 0.78 APEX1 (0.66) LCKPOLBMAPTKMT2AMEN1
SCHEMBL3894511 0.78 APEX1 (0.66) LCKPOLBMAPTKMT2AMEN1
SCHEMBL3894518 0.78 APEX1 (0.66) LCKPOLBMAPTKMT2AMEN1
SCHEMBL3895627 0.75 POLB (0.72) POLBMAPTKMT2AMEN1TDP1
SCHEMBL3895634 0.75 POLB (0.72) POLBMAPTKMT2AMEN1TDP1
SCHEMBL15374280 0.75 POLB (0.72) POLBMAPTKMT2AMEN1TDP1
SCHEMBL14426457 0.75 LCK (1.00) LCKPOLBMAPTKMT2AMEN1
SCHEMBL14426569 0.75 KMT2A (0.76) LCKPOLBMAPTKMT2AMEN1
SCHEMBL25865503 0.75 LCK (1.00) LCKPOLBMAPTKMT2AMEN1

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-2008024759-A2 IMMUNOMODULATORY COMPOUNDS THAT TARGET AND INHIBIT THE PY+3 BINDING SITE OF TYROSENE KINASE P56 LCK SH2 DOMAIN UNIVERSITY OF MARYLAND, BALTIMORE (US) 2008-02-28 — — WO disclosed
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