SCHEMBL5220685

SCHEMBL5220685

O=C(O)NC1CCN(c2ncccc2Cl)CC1

nearest known ligand 0.64

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MALT1 Q9UDY8 11/20 0.64
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
TRPV1 Q8NER1 1/20 0.54
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50

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
SCHEMBL3937794 0.92 MALT1 (0.58) MALT1MEN1KMT2ATRPV1
SCHEMBL3937807 0.92 MALT1 (0.58) MALT1MEN1KMT2ATRPV1
SCHEMBL1728915 0.84 KMT2A (0.50) MALT1MEN1KMT2ATRPV1CYP1A2
SCHEMBL2421306 0.83 MALT1 (0.70) MALT1KMT2ATRPV1CYP2C19
SCHEMBL27643780 0.82 TRPV1 (0.55) MALT1MEN1KMT2ATRPV1
SCHEMBL1727561 0.82 KMT2A (0.48) MALT1MEN1KMT2ATRPV1CYP1A2
SCHEMBL2425939 0.81 MALT1 (0.64) MALT1MEN1KMT2ATRPV1
SCHEMBL17844913 0.81 KMT2A (0.47) MALT1MEN1KMT2ATRPV1CYP1A2
SCHEMBL5220690 0.81 KDM4E (0.66) MALT1MEN1KMT2ACYP1A2CYP3A4
SCHEMBL3216080 0.81 TRPV1 (0.69) TRPV1

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-1664025-B1 PYRROL DERIVATIVES WITH ANTIBACTERIAL ACTIVITY ASTRAZENECA AB (SE) 2007-09-19 EP disclosed