SCHEMBL18152709

SCHEMBL18152709

Cc1nc2c(Cl)nc(Cl)c(Cc3ccc(F)cc3)c2[nH]1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.35
MDM2 Q00987 1/20 0.35
ADCY10 Q96PN6 1/20 0.35
ALKBH3 Q96Q83 2/20 0.35
AR P10275 2/20 0.35
HPGD P15428 3/20 0.35
ALDH1A1 P00352 2/20 0.35
LMNA P02545 1/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
PKM P14618 1/20 0.35
NPSR1 Q6W5P4 2/20 0.35
PTGS1 P23219 1/20 0.34
PTGS2 P35354 1/20 0.34
NPY5R Q15761 1/20 0.33
CACNA1G O43497 1/20 0.33
CACNA1H O95180 1/20 0.33
CACNA1I Q9P0X4 1/20 0.33
KDM4E B2RXH2 1/20 0.33
CSNK2A1 P68400 1/20 0.33

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
SCHEMBL855883 0.70 NPSR1 (0.49) SMN1; SMN2ARHPGDALDH1A1LMNA
SCHEMBL12496103 0.67 SMN1; SMN2 (0.59) SMN1; SMN2ADCY10HPGDALDH1A1LMNA
SCHEMBL27851698 0.66 NPSR1 (0.45) SMN1; SMN2ARHPGDALDH1A1LMNA
SCHEMBL856305 0.65 NPSR1 (0.44) SMN1; SMN2ARHPGDALDH1A1LMNA
SCHEMBL856234 0.64 SMN1; SMN2 (0.53) SMN1; SMN2ARHPGDALDH1A1LMNA
SCHEMBL16016391 0.63 ALDH1A1 (0.49) SMN1; SMN2MDM2ALKBH3HPGDALDH1A1
SCHEMBL28195339 0.61 SMN1; SMN2 (0.46) SMN1; SMN2MDM2ALDH1A1LMNAMAPT
SCHEMBL654288 0.61 NPC1 (0.41) SMN1; SMN2ARHPGDLMNAMAPT
SCHEMBL12495499 0.61 KMT2A (0.44) SMN1; SMN2HPGDALDH1A1LMNAGAA
SCHEMBL12495498 0.61 KMT2A (0.44) SMN1; SMN2HPGDALDH1A1LMNAGAA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3283077-A2 BROMODOMAIN INHIBITOR Celgene Quanticel Research, Inc. (US) 2018-02-21 EP disclosed
WO-2016168682-A2 BROMODOMAIN INHIBITOR CELGENE QUANTICEL RESEARCH, INC. (US) 2016-10-20 WO disclosed