SCHEMBL9526677

SCHEMBL9526677

O=Cc1cc2sc(C(=O)O)cc2c2ccccc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCL2L1 Q07817 1/20 0.47
PLK4 O00444 3/20 0.44
AURKA O14965 3/20 0.44
DAPK3 O43293 3/20 0.44
CHEK2 O96017 3/20 0.44
CDK1 P06493 3/20 0.44
PIM1 P11309 3/20 0.44
CDK2 P24941 3/20 0.44
MAPK9 P45984 3/20 0.44
CSNK1D P48730 3/20 0.44
GSK3A P49840 3/20 0.44
GSK3B P49841 3/20 0.44
CSNK2A1 P68400 3/20 0.44
DYRK1A Q13627 3/20 0.44
AURKB Q96GD4 3/20 0.44
PLK3 Q9H4B4 3/20 0.44
PIM2 Q9P1W9 3/20 0.44
PRKACA P17612 2/20 0.44
RPS6KA3 P51812 2/20 0.44
SGK2 Q9HBY8 2/20 0.44

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
SCHEMBL9524639 0.85 HPGD (0.49) CSNK1DGSK3AGSK3BCSNK2A1DYRK1A
SCHEMBL9432217 0.78 BCL2L1 (0.50) BCL2L1PLK4AURKADAPK3CHEK2
SCHEMBL7543007 0.69 MEN1 (0.47) MCL1CYP2A6KDM4EALDH1A1LMNA
SCHEMBL9527033 0.68 CYP2A6 (0.47) CSNK2A1MCL1CYP2A6ALDH1A1LMNA
SCHEMBL9578460 0.68 ALDH1A1 (0.59) BCL2L1PLK4AURKADAPK3CHEK2
SCHEMBL9537092 0.67 CYP2A6 (0.46) MCL1CYP2A6KDM4EALDH1A1SMN1; SMN2
SCHEMBL7191129 0.67 HSD17B10 (0.44) GPR35MCL1KDM4EALDH1A1HPGD
SCHEMBL27297797 0.67 GPR35 (0.42) BCL2L1MAP3K8GPR35KDM4EALDH1A1
SCHEMBL13858122 0.66 ALOX15 (0.55) KDM4EALDH1A1SMN1; SMN2LMNAHPGD
SCHEMBL9978740 0.66 MCL1 (0.60) MCL1KDM4EALDH1A1SMN1; SMN2HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0183439-B1 POLYCYCLIC COMPOUNDS, THEIR PREPARATION AND USE AND FORMULATIONS CONTAINING THEM THE WELLCOME FOUNDATION LIMITED (GB) 1993-02-03 EP disclosed
US-5075455-A Microbiocides, antitumor agents BURROUGHS WELLCOME CO. (US) 1991-12-24 US disclosed
US-5049581-A Dibenzofurans having anti-tumor activity BURROUGHS WELLCOME CO. (US) 1991-09-17 US disclosed
US-5017600-A Antitumor BURROUGHS WELLCOME CO. (US) 1991-05-21 US disclosed
US-5008286-A Antitumor agents BURROUGHS WELLCOME CO. (US) 1991-04-16 US disclosed
US-4970227-A ANTITUMOR BURROUGHS WELLCOME CO. (US) 1990-11-13 US disclosed
US-4965285-A ANTITUMOR AGENTS BURROUGHS WELLCOME CO. (US) 1990-10-23 US disclosed
US-4866070-A ANTITUMOR AGENT BURROUGHS WELLCOME CO. (US) 1989-09-12 US disclosed
EP-0183439-A2 Polycyclic compounds, their preparation and use and formulations containing them THE WELLCOME FOUNDATION LIMITED (GB) 1986-06-04 EP disclosed