SCHEMBL19862684

SCHEMBL19862684

CCc1nc(Cl)cc(=O)n1CC

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.38
HTR2C P28335 2/20 0.37
KDM4E B2RXH2 5/20 0.36
LMNA P02545 3/20 0.36
PKM P14618 1/20 0.36
GSK3B P49841 1/20 0.35
KAT2B Q92831 1/20 0.35
CYP1A2 P05177 3/20 0.34
CYP3A4 P08684 3/20 0.34
TSHR P16473 2/20 0.34
MEN1 O00255 1/20 0.34
CYP2D6 P10635 1/20 0.34
NFKB1 P19838 1/20 0.34
BLM P54132 1/20 0.34
PMP22 Q01453 1/20 0.34
KMT2A Q03164 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
ALDH1A1 P00352 4/20 0.33
CYP2C9 P11712 2/20 0.33
HTT P42858 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
SCHEMBL17222668 0.81 POLB (0.40) POLBHTR2CKDM4ELMNAPKM
SCHEMBL24012951 0.78 POLB (0.46) POLBKDM4ELMNAPKMKAT2B
SCHEMBL17230733 0.74 POLB (0.35) POLBHTR2CKDM4ELMNAPKM
SCHEMBL16015415 0.70 PDE7A (0.37) POLBKDM4ELMNAPKMKAT2B
SCHEMBL18931709 0.70 AGTR1 (0.37) KDM4ELMNAHTT
SCHEMBL19862662 0.66 KDM1A (0.53) CYP1A2TSHRMEN1CYP2D6NFKB1
SCHEMBL27428607 0.65 CDK4 (0.37) POLBKDM4ELMNAGSK3BALDH1A1
SCHEMBL25793112 0.64 POLB (0.32) POLBTSHRSMN1; SMN2ALDH1A1HTT
SCHEMBL18931727 0.64 CA1 (0.34) KDM4ELMNAPKMCYP3A4TSHR
SCHEMBL13677280 0.63 ACSS2 (0.53) LMNACYP1A2CYP3A4SMN1; SMN2CYP2C9

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-2018031658-A1 TREATMENT OF RELAPSED AND/OR REFRACTORY SOLID TUMORS AND NON-HODGKIN'S LYMPHOMAS CELGENE CORPORATION (US) 2018-02-15 WO disclosed