SCHEMBL21189588

SCHEMBL21189588

O=C(c1cc(Br)ccc1Cl)N1CCCC1

nearest known ligand 0.66

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.66
MEN1 O00255 2/20 0.60
KMT2A Q03164 2/20 0.60
HPGD P15428 6/20 0.56
USP2 O75604 1/20 0.55
ALDH1A1 P00352 3/20 0.54
MAPT P10636 2/20 0.54
NPSR1 Q6W5P4 1/20 0.54
TSHR P16473 2/20 0.54
POLB P06746 2/20 0.54
HSP90AA1 P07900 2/20 0.53
LMNA P02545 2/20 0.53
TP53 P04637 1/20 0.53
ALOX15 P16050 1/20 0.53
KDM4E B2RXH2 1/20 0.53
NPC1 O15118 2/20 0.52
RAB9A P51151 2/20 0.52
RECQL P46063 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
SCHEMBL2106649 0.87 HPGD (0.55) SMN1; SMN2MEN1KMT2AHPGDUSP2
SCHEMBL30033208 0.87 HPGD (0.55) SMN1; SMN2MEN1KMT2AHPGDUSP2
SCHEMBL30032014 0.85 HPGD (0.58) SMN1; SMN2MEN1KMT2AHPGDUSP2
SCHEMBL3342742 0.83 HPGD (0.51) SMN1; SMN2MEN1KMT2AHPGDUSP2
SCHEMBL6422572 0.81 TSHR (0.71) HPGDUSP2MAPTTSHRPOLB
SCHEMBL22767193 0.80 HPGD (0.55) MEN1KMT2AHPGDUSP2ALDH1A1
SCHEMBL21189714 0.80 HPGD (0.58) SMN1; SMN2MEN1KMT2AHPGDALDH1A1
SCHEMBL6366439 0.80 ALDH1A1 (0.56) SMN1; SMN2MEN1KMT2AHPGDALDH1A1
SCHEMBL155189 0.80 KMT2A (0.56) SMN1; SMN2MEN1KMT2AHPGDALDH1A1
SCHEMBL21179375 0.79 SMN1; SMN2 (0.54) SMN1; SMN2MEN1KMT2AHPGDALDH1A1

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-2019141694-A1 PI4KIIIBETA INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2019-07-25 WO disclosed