SCHEMBL17608644

SCHEMBL17608644

COC(=O)c1ccc2c(c1)c(C(=O)c1ccc(Cl)cc1)nn2Cc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGER4 P35408 5/20 0.51
▸ MCL1 Q07820 1/20 0.46
▸ DRD2 P14416 5/20 0.46
▸ TBXA2R P21731 5/20 0.46
▸ F2RL3 Q96RI0 1/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ GAA P10253 1/20 0.44
▸ RAB9A P51151 1/20 0.44
▸ MAPT P10636 1/20 0.43
▸ CYP1A2 P05177 2/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ F2 P00734 1/20 0.43
▸ CYP3A4 P08684 1/20 0.43
▸ CYP2D6 P10635 1/20 0.43
▸ CYP2C9 P11712 1/20 0.43
▸ TSHR P16473 1/20 0.43
▸ PMP22 Q01453 1/20 0.43
▸ HIF1A Q16665 1/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.43

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
SCHEMBL17608449 0.84 PTGER4 (0.51) PTGER4MCL1F2RL3CYP1A2SMN1; SMN2
SCHEMBL17608479 0.83 VNN1 (0.43) PTGER4F2RL3MEN1KMT2AGAA
SCHEMBL16127813 0.82 GAA (0.52) PTGER4F2RL3MEN1KMT2AGAA
SCHEMBL14977876 0.81 F2RL3 (0.48) PTGER4F2RL3MEN1KMT2AGAA
SCHEMBL24273650 0.77 PTGER4 (0.61) PTGER4MCL1DRD2TBXA2RCYP1A2
SCHEMBL29459644 0.77 PTGER4 (0.61) PTGER4MCL1DRD2TBXA2RCYP1A2
SCHEMBL1214836 0.77 ELANE (0.64) PTGER4MCL1GAAMAPTCYP1A2
SCHEMBL1897336 0.75 PTGER4 (0.59) PTGER4F2RL3CYP1A2SMN1; SMN2F2
SCHEMBL1553851 0.75 SLC22A12 (0.58) F2RL3MEN1KMT2AGAARAB9A
SCHEMBL17608582 0.75 F2RL3 (0.45) PTGER4F2RL3MEN1KMT2AGAA

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-2016041618-A1 SUBSTITUTED INDAZOLES AND RELATED HETEROCYCLES MERCK PATENT GMBH (DE) 2016-03-24 — — WO disclosed
WO-2016041618-A1 SUBSTITUTED INDAZOLES AND RELATED HETEROCYCLES MERCK PATENT GMBH (DE) 2016-03-24 — — WO disclosed
Send feedback