SCHEMBL7574482

SCHEMBL7574482

CSCc1c(Cl)ccc(C(=O)CC(=O)C2CC2)c1SC

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.33
KMT2A Q03164 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
ALDH1A1 P00352 2/20 0.31
PKM P14618 1/20 0.31
POLB P06746 1/20 0.30
P2RX7 Q99572 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
SCHEMBL8389663 0.85 SMN1; SMN2 (0.36) HPGDKMT2ASMN1; SMN2ALDH1A1POLB
SCHEMBL8489056 0.85 CYP2D6 (0.33) HPGDKMT2ASMN1; SMN2ALDH1A1PKM
SCHEMBL6746643 0.84 ERCC5 (0.36) HPGDKMT2ASMN1; SMN2ALDH1A1P2RX7
SCHEMBL8494921 0.83 SMN1; SMN2 (0.35) HPGDKMT2ASMN1; SMN2ALDH1A1POLB
SCHEMBL8724282 0.82 KMT2A (0.33) HPGDKMT2ASMN1; SMN2
SCHEMBL8754724 0.81 ALDH1A1 (0.32) KMT2AALDH1A1POLB
SCHEMBL8725793 0.79 KMT2A (0.34) HPGDKMT2ASMN1; SMN2
SCHEMBL8388765 0.78 PDE4D (0.36) HPGDKMT2ASMN1; SMN2ALDH1A1
SCHEMBL8724610 0.77 ERCC5 (0.38) HPGDKMT2ASMN1; SMN2ALDH1A1
SCHEMBL8726570 0.77 GPR119 (0.34) KMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0609798-B1 4-Benzoyl isoxazoles and their use as herbicides AVENTIS AGRICULTURE LTD (GB) 2002-10-02 EP disclosed
US-5374606-A Pre- and postemergence RHONE-POULENC AGRICULTURE LIMITED (GB) 1994-12-20 US disclosed
EP-0609798-A1 4-Benzoyl isoxazoles and their use as herbicides RHONE POULENC AGRICULTURE LTD. (GB) 1994-08-10 EP disclosed