SCHEMBL11385539

SCHEMBL11385539

O=C(N[C@@H](CSC(=O)c1cccs1)C(=O)O)c1cccs1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.53
▸ MAPT P10636 2/20 0.53
▸ ADAM17 P78536 1/20 0.53
▸ ATM Q13315 1/20 0.53
▸ CTSL P07711 1/20 0.48
▸ RAB9A P51151 4/20 0.48
▸ HPGD P15428 1/20 0.47
▸ HDAC1 Q13547 1/20 0.46
▸ ALDH1A1 P00352 2/20 0.46
▸ HSPA5 P11021 4/20 0.46
▸ HSPA2 P54652 2/20 0.46
▸ HSPA1A P0DMV8 1/20 0.46
▸ HSPA9 P38646 1/20 0.46
▸ MEN1 O00255 2/20 0.44
▸ LMNA P02545 1/20 0.44
▸ GFER P55789 1/20 0.44
▸ KDM4E B2RXH2 1/20 0.44
▸ ERCC5 P28715 1/20 0.44
▸ FEN1 P39748 1/20 0.44
▸ CTSB P07858 1/20 0.44

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
SCHEMBL11385542 1.00 KMT2A (0.53) KMT2AMAPTADAM17ATMCTSL
SCHEMBL11384632 0.91 KMT2A (0.50) KMT2AMAPTADAM17ATMCTSL
SCHEMBL11384637 0.91 KMT2A (0.50) KMT2AMAPTADAM17ATMCTSL
SCHEMBL9630054 0.88 MAPT (0.52) KMT2AMAPTADAM17ATMCTSL
SCHEMBL9630045 0.88 MAPT (0.52) KMT2AMAPTADAM17ATMCTSL
SCHEMBL20122460 0.82 ACE (0.51) KMT2AMAPTADAM17ATMCTSL
SCHEMBL20122473 0.81 MAPT (0.46) KMT2AMAPTADAM17ATMCTSL
SCHEMBL9705400 0.81 RAB9A (0.54) KMT2ACTSLRAB9AHPGDHDAC1
SCHEMBL11386076 0.81 RAB9A (0.54) KMT2ACTSLRAB9AHPGDHDAC1
SCHEMBL9705401 0.81 RAB9A (0.54) KMT2ACTSLRAB9AHPGDHDAC1

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
Send feedback