SCHEMBL7429140

SCHEMBL7429140

Cc1cc(-c2ccccc2C)ccc1C(=O)Cl

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 1/20 0.55
CNR1 P21554 1/20 0.43
FTO Q9C0B1 1/20 0.43
EDNRB P24530 1/20 0.43
EDNRA P25101 1/20 0.43
AVPR2 P30518 2/20 0.41
AVPR1A P37288 2/20 0.41
CA12 O43570 2/20 0.41
CA9 Q16790 2/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
GRIA1 P42261 1/20 0.41
CACNG8 Q8WXS5 1/20 0.41
PDK2 Q15119 1/20 0.41
RXRB P28702 2/20 0.41
NR1H4 Q96RI1 2/20 0.40
RXRA P19793 1/20 0.40
TRPA1 O75762 1/20 0.40
CTSD P07339 1/20 0.40
BACE1 P56817 1/20 0.40

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
SCHEMBL4943334 0.84 MCL1 (0.71) MCL1FTOEDNRBEDNRARXRB
SCHEMBL4365448 0.83 RXRB (0.53) MCL1RXRBRXRA
SCHEMBL10911662 0.82 RXRB (0.50) MCL1AVPR1ARXRBRXRACAMKK2
SCHEMBL4251313 0.80 CA12 (0.49) MCL1CNR1AVPR2AVPR1ACA12
SCHEMBL9154092 0.77 RXRB (0.47) MCL1RXRBRXRA
SCHEMBL27537578 0.76 MCL1 (0.73) MCL1FTOEDNRBEDNRANR1H4
SCHEMBL7429889 0.76 MYC (0.48) MCL1FTOMYC
SCHEMBL10058044 0.75 MCL1 (0.48) MCL1CNR1FTOEDNRBEDNRA
SCHEMBL93382 0.75 ALDH1A1 (0.54) MYC
SCHEMBL29677294 0.75 ALDH1A1 (0.54) MYC

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-1183239-A1 AROMATIC SULFONE HYDROXAMIC ACID METALLOPROTEASE INHIBITOR G.D. SEARLE & CO. (US) 2002-03-06 EP disclosed
WO-2000069821-A1 AROMATIC SULFONE HYDROXAMIC ACID METALLOPROTEASE INHIBITOR G.D. SEARLE & CO. (US) 2000-11-23 WO disclosed