SCHEMBL20142977

SCHEMBL20142977

O=C(NC1CCC(C(=O)Nc2ccc(F)cc2Cl)CC1)c1cccc2cccnc12

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 1/20 0.50
▸ KDR P35968 1/20 0.46
▸ MEN1 O00255 2/20 0.45
▸ KMT2A Q03164 2/20 0.45
▸ PDE4B Q07343 3/20 0.45
▸ GRM4 Q14833 2/20 0.45
▸ P2RX7 Q99572 1/20 0.44
▸ MAPT P10636 2/20 0.43
▸ TNKS O95271 2/20 0.43
▸ TNKS2 Q9H2K2 2/20 0.43
▸ ABL1 P00519 1/20 0.43
▸ CASP3 P42574 1/20 0.43
▸ SENP8 Q96LD8 1/20 0.43
▸ SENP7 Q9BQF6 1/20 0.43
▸ PDE4D Q08499 1/20 0.42
▸ CNR1 P21554 1/20 0.42
▸ CNR2 P34972 1/20 0.42
▸ PLEC Q15149 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
SCHEMBL20142976 1.00 HPGD (0.50) HPGDKDRMEN1KMT2APDE4B
SCHEMBL20161124 0.89 HPGD (0.47) HPGDMEN1KMT2APDE4BGRM4
SCHEMBL20139008 0.89 LMNA (0.52) HPGDKMT2APDE4BGRM4P2RX7
SCHEMBL20139011 0.89 LMNA (0.52) HPGDKMT2APDE4BGRM4P2RX7
SCHEMBL20138815 0.84 GSK3A (0.51) HPGDKDRMEN1KMT2AP2RX7
SCHEMBL20138814 0.84 GSK3A (0.51) HPGDKDRMEN1KMT2AP2RX7
SCHEMBL20142963 0.83 HPGD (0.46) HPGDPDE4BGRM4MAPTABL1
SCHEMBL20142964 0.83 HPGD (0.46) HPGDPDE4BGRM4MAPTABL1
SCHEMBL20142974 0.81 HPGD (0.48) HPGDP2RX7
SCHEMBL20143016 0.80 HPGD (0.49) HPGDMEN1KMT2APDE4BGRM4

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
WO-2018087126-A1 AMIDO-SUBSTITUTED CYCLOHEXANE DERIVATIVES AS INHIBITORS OF TANKYRASE BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2018-05-17 — — WO claimed
WO-2018087126-A1 AMIDO-SUBSTITUTED CYCLOHEXANE DERIVATIVES AS INHIBITORS OF TANKYRASE BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2018-05-17 — — WO disclosed
Send feedback