SCHEMBL20195629

SCHEMBL20195629

NCC(=O)Nc1ccc(C=O)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 5/20 0.56
CA2 P00918 5/20 0.56
TERT O14746 1/20 0.50
TAAR1 Q96RJ0 1/20 0.49
LTA4H P09960 1/20 0.49
KDM4E B2RXH2 3/20 0.44
P2RY14 Q15391 1/20 0.43
POLB P06746 3/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
MAPT P10636 2/20 0.41
MYLK4 Q86YV6 1/20 0.41
ALDH1A1 P00352 3/20 0.41
CA4 P22748 1/20 0.41
CA7 P43166 1/20 0.41
GAA P10253 1/20 0.41
HPGD P15428 1/20 0.41
ALOX15 P16050 1/20 0.41
TSHR P16473 1/20 0.41
HSD17B10 Q99714 1/20 0.41

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
SCHEMBL1916615 0.84 POLB (0.56) CA1CA2KDM4EPOLBMEN1
SCHEMBL21177278 0.83 MAPT (0.59) CA1CA2KDM4EPOLBMEN1
SCHEMBL11273760 0.81 KDM4E (0.65) CA1CA2KDM4EPOLBMEN1
SCHEMBL3732414 0.81 ALDH1A1 (0.44) KDM4EP2RY14POLBMEN1KMT2A
SCHEMBL6038006 0.81 NPC1 (0.59) KDM4EPOLBMEN1KMT2AMAPT
SCHEMBL12227565 0.79 MAPT (0.47) KDM4EPOLBMEN1KMT2AMAPT
SCHEMBL23081898 0.78 MAOB (0.44) KDM4EP2RY14POLBMEN1KMT2A
SCHEMBL5681335 0.78 POLB (0.69) CA1CA2KDM4EPOLBMEN1
SCHEMBL6004364 0.78 TP53 (0.68) CA1CA2KDM4EMEN1KMT2A
SCHEMBL12290189 0.78 CA1 (0.57) CA1CA2KDM4EPOLBMAPT

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-2097097-B1 ANTIBODIES, IN PARTICULAR HUMAN ANTIBODIES, THAT BIND CD22 AND USES THEREOF SQUIBB & SONS LLC (US) 2018-05-30 EP disclosed