SCHEMBL11384632

SCHEMBL11384632

O=C(NC(CSC(=O)c1cccs1)C(=O)O)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.50
▸ RAB9A P51151 3/20 0.50
▸ MAPT P10636 1/20 0.50
▸ ADAM17 P78536 1/20 0.50
▸ ATM Q13315 1/20 0.50
▸ NPC1 O15118 2/20 0.47
▸ MEN1 O00255 1/20 0.47
▸ HPGDS O60760 2/20 0.45
▸ KCNK3 O14649 1/20 0.44
▸ KCNK9 Q9NPC2 1/20 0.44
▸ ACE P12821 2/20 0.43
▸ CTSL P07711 1/20 0.43
▸ PTPN1 P18031 1/20 0.42
▸ HPGD P15428 2/20 0.42
▸ PIN1 Q13526 1/20 0.42
▸ ERCC5 P28715 1/20 0.41
▸ FEN1 P39748 1/20 0.41

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
SCHEMBL11384637 1.00 KMT2A (0.50) KMT2ARAB9AMAPTADAM17ATM
SCHEMBL11385539 0.91 KMT2A (0.53) KMT2ARAB9AMAPTADAM17ATM
SCHEMBL11385542 0.91 KMT2A (0.53) KMT2ARAB9AMAPTADAM17ATM
SCHEMBL9630054 0.84 MAPT (0.52) KMT2ARAB9AMAPTADAM17ATM
SCHEMBL9630045 0.84 MAPT (0.52) KMT2ARAB9AMAPTADAM17ATM
SCHEMBL10942540 0.83 PTPN1 (0.50) ACECTSLPTPN1
SCHEMBL10805856 0.83 PTPN1 (0.50) ACECTSLPTPN1
SCHEMBL20122460 0.79 ACE (0.51) KMT2ARAB9AMAPTADAM17ATM
SCHEMBL20122473 0.78 MAPT (0.46) KMT2ARAB9AMAPTADAM17ATM
SCHEMBL10667128 0.76 ACE (0.47) KMT2ARAB9AMEN1ACECTSL

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-4259508-A MUCOLYTIC, EMOLLIENT BLUM JEAN 1981-03-31 — — US disclosed
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