SCHEMBL7205804

SCHEMBL7205804

C1=CC(c2cc3ccccc3s2)c2ccccc21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 5/20 0.45
SLC6A2 P23975 4/20 0.45
SLC6A3 Q01959 4/20 0.45
DRD2 P14416 1/20 0.38
ALOX5 P09917 1/20 0.36
CYP2A6 P11509 4/20 0.36
ADRB2 P07550 1/20 0.36
ASIC3 Q9UHC3 1/20 0.35
LOXL2 Q9Y4K0 1/20 0.35
MGLL Q99685 1/20 0.35
BCL2L1 Q07817 1/20 0.34
HTR2A P28223 2/20 0.33
HTR2C P28335 2/20 0.33
CA2 P00918 2/20 0.33
APP P05067 2/20 0.33
AGXT P21549 1/20 0.33
HDAC3 O15379 1/20 0.33
HDAC4 P56524 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC7 Q8WUI4 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
SCHEMBL29455223 0.69 SLC6A2 (0.36) SLC6A4SLC6A2SLC6A3HTR2A
SCHEMBL7722775 0.69 SLC6A2 (0.36) SLC6A4SLC6A2SLC6A3HTR2A
SCHEMBL31568073 0.68 SLC6A4 (0.43) SLC6A4SLC6A2SLC6A3DRD2ALOX5
SCHEMBL15814919 0.68 KDM4E (0.46) SLC6A4SLC6A2SLC6A3DRD2CYP2A6
SCHEMBL28359596 0.67 SLC6A4 (0.61) SLC6A4SLC6A2SLC6A3DRD2ALOX5
SCHEMBL31172103 0.67 SLC6A4 (0.61) SLC6A4SLC6A2SLC6A3DRD2ALOX5
SCHEMBL1025256 0.67 KDM1A (0.43) SLC6A4SLC6A2SLC6A3DRD2CYP2A6
SCHEMBL10172307 0.67 KLK1 (0.43) SLC6A4SLC6A2SLC6A3DRD2ALOX5
SCHEMBL2971027 0.67 HTR6 (0.32) CYP2A6HTR2A
SCHEMBL4282479 0.67 ALDH1A1 (0.35) HTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0871612-B1 FUSED ISOINDOLONES AS INHIBITORS OF PROTEIN KINASE C CEPHALON INC (US) 2003-03-12 EP disclosed
EP-0871612-A1 FUSED ISOINDOLONES AS INHIBITORS OF PROTEIN KINASE C CEPHALON, INC. (US) 1998-10-21 EP disclosed
US-5808060-A Fused isoindolones CEPHALON, INC. (US) 1998-09-15 US disclosed
WO-1997021677-A9 FUSED ISOINDOLONES AS INHIBITORS OF PROTEIN KINASE C 1998-07-23 WO disclosed
WO-1997021677-A1 FUSED ISOINDOLONES AS INHIBITORS OF PROTEIN KINASE C CEPHALON, INCORPORATED (US) 1997-06-19 WO disclosed