SCHEMBL21765667

SCHEMBL21765667

CN(C(=O)CBr)c1ccc(N(C)C(=O)CBr)cc1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.46
POLQ O75417 2/20 0.39
ALDH1A1 P00352 2/20 0.38
MAPT P10636 2/20 0.38
HPGD P15428 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
NOTUM Q6P988 1/20 0.38
POLB P06746 1/20 0.38
LMNA P02545 2/20 0.38
MEN1 O00255 1/20 0.38
MLYCD O95822 3/20 0.37
MAPK1 P28482 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
SCHEMBL28347861 0.92 GSK3B (0.45) KMT2AALDH1A1MAPTHPGDSMN1; SMN2
SCHEMBL8552126 0.90 POLQ (0.48) KMT2APOLQMAPTLMNA
SCHEMBL7501648 0.90 GSK3B (0.47) KMT2APOLQALDH1A1MAPTHPGD
SCHEMBL2189058 0.89 KMT2A (0.59) KMT2APOLQALDH1A1POLBMEN1
Water SCHEMBL11223681 0.88 KMT2A (0.39) KMT2APOLQALDH1A1MAPTHPGD
Water SCHEMBL11223686 0.88 KMT2A (0.39) KMT2APOLQALDH1A1MAPTHPGD
SCHEMBL30520315 0.87 GSK3B (0.53) ALDH1A1MAPTSMN1; SMN2LMNA
SCHEMBL11922926 0.85 KMT2A (0.41) KMT2AALDH1A1SMN1; SMN2LMNAMEN1
SCHEMBL3152935 0.84 GSK3B (0.53) KMT2AALDH1A1MAPTSMN1; SMN2MEN1
SCHEMBL1244024 0.84 NOTUM (0.62) KMT2AALDH1A1MAPTHPGDSMN1; SMN2

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
WO-2020041270-A1 COLLECTIONS OF PEPTIDES, PEPTIDE AGENTS, AND METHODS OF USE THEREOF FOG PHARMACEUTICALS, INC. (US) 2020-02-27 WO disclosed