SCHEMBL7597092

SCHEMBL7597092

Cc1ccc(S(=O)(=O)N(C(=O)C2CS(=O)(=O)CCN2)[C@@H](Cc2ccc(NCC3CCNCC3)cc2)C(=O)OC(C)C)cc1

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
NPSR1 Q6W5P4 1/20 0.31
POLB P06746 1/20 0.30
MAPT P10636 1/20 0.30

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
SCHEMBL7510017 0.91 KDM1A (0.35) KDM1AMEN1KMT2ANPSR1POLB
SCHEMBL5691919 0.89 MAPT (0.36) KDM1AMEN1KMT2ANPSR1POLB
SCHEMBL3877158 0.82 P2RX7 (0.32) MEN1KMT2AMAPT
SCHEMBL5690785 0.81 ENPP3 (0.36) KDM1AMEN1KMT2ANPSR1MAPT
SCHEMBL5690598 0.79 MAPT (0.37) KDM1AMEN1KMT2ANPSR1POLB
SCHEMBL5691489 0.79 ENPP3 (0.36) KDM1AMEN1KMT2APOLBMAPT
SCHEMBL7068178 0.77 POLB (0.40) MEN1KMT2ANPSR1POLB
SCHEMBL7069483 0.75 NPSR1 (0.41) KMT2ANPSR1MAPT
SCHEMBL5691009 0.74 MAPT (0.40) KMT2APOLBMAPT
SCHEMBL7314567 0.73 CYP2D6 (0.34) NPSR1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1001974-A1 4-AMINO-PHENYLALANINE TYPE COMPOUNDS WHICH INHIBIT LEUKOCYTE ADHESION MEDIATED BY VLA-4 Elan Pharmaceuticals, Inc. (US) 2000-05-24 EP claimed
WO-1999006434-A1 4-AMINO-PHENYLALANINE TYPE COMPOUNDS WHICH INHIBIT LEUKOCYTE ADHESION MEDIATED BY VLA-4 ELAN PHARMACEUTICALS INC. (US) 1999-02-11 WO claimed