SCHEMBL13715537

SCHEMBL13715537

O=C(OCl)C(F)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.44
SRC P12931 3/20 0.41
CYP2D6 P10635 2/20 0.41
LMNA P02545 2/20 0.40
CYP1A2 P05177 1/20 0.40
PKM P14618 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
MAPK1 P28482 1/20 0.40
CES2 O00748 1/20 0.39
CES1 P23141 1/20 0.39
L3MBTL1 Q9Y468 3/20 0.38
TDP1 Q9NUW8 1/20 0.38
CYP2C19 P33261 1/20 0.37
ATM Q13315 1/20 0.37

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
SCHEMBL7279830 0.83 KMT2A (0.47) KMT2ASRCCYP2D6LMNACYP1A2
SCHEMBL27309507 0.79 KMT2A (0.44) KMT2ASRCCYP2D6LMNACYP1A2
SCHEMBL2401919 0.79 KMT2A (0.64) KMT2ALMNA
SCHEMBL9217848 0.79 KMT2A (0.44) KMT2ASRCCYP2D6LMNACYP1A2
SCHEMBL2078143 0.79 KMT2A (0.64) KMT2ALMNA
SCHEMBL529525 0.78 L3MBTL1 (0.56) KMT2ASRCCYP2D6LMNACYP1A2
SCHEMBL27793738 0.78 L3MBTL1 (0.56) KMT2ASRCCYP2D6LMNACYP1A2
SCHEMBL8528299 0.77 LMNA (0.58) KMT2ASRCCYP2D6LMNACYP1A2
SCHEMBL29136154 0.77 LMNA (0.58) KMT2ASRCCYP2D6LMNACYP1A2
SCHEMBL9051580 0.77 KMT2A (0.45) KMT2ASRCCYP2D6LMNACYP1A2

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
EP-1465880-B1 5-SULPHANYL-4H-1,2,4-TRIAZOLE DERIVATIVES AND THEIR USE TO TREAT DISORDERS ASSOCIATED WITH SOMATOSTATINE IPSEN PHARMA (FR) 2009-08-05 EP disclosed