SCHEMBL7703330

SCHEMBL7703330

O=CCn1ccnc1-c1nccs1

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
AGTR2 P50052 4/20 0.34
LOXL2 Q9Y4K0 1/20 0.33
PDPK1 O15530 1/20 0.33
HPGD P15428 3/20 0.32
ADRA2A P08913 1/20 0.32
ADRA1A P35348 1/20 0.32
ADRB2 P07550 1/20 0.31
MAPK1 P28482 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
ADORA1 P30542 2/20 0.31
ADORA3 P0DMS8 1/20 0.31
ADORA2A P29274 1/20 0.31
CYP2A6 P11509 1/20 0.30
NPC1 O15118 1/20 0.30
PKM P14618 1/20 0.30
RECQL P46063 1/20 0.30
RAB9A P51151 1/20 0.30

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
SCHEMBL3065487 0.76 ESR1 (0.40) AGTR2PDPK1MAPK1SMN1; SMN2TDP1
SCHEMBL3060487 0.72 AGTR2 (0.37) AGTR2LOXL2PDPK1HPGDADRB2
SCHEMBL28750902 0.72 AGTR2 (0.39) AGTR2NPC1PKMRAB9A
SCHEMBL3055990 0.72 AGTR2 (0.43) AGTR2SMN1; SMN2PKM
SCHEMBL10076596 0.71 BRD4 (0.38) HPGDSMN1; SMN2PKM
SCHEMBL7103966 0.71 AGTR2 (0.38) AGTR2ADRB2MAPK1ADORA1ADORA3
SCHEMBL15332643 0.70
SCHEMBL27608927 0.68 PDPK1 (0.39) LOXL2PDPK1ADRA2AADRA1AADRB2
SCHEMBL12320187 0.68 ADORA2A (0.43) LOXL2PDPK1HPGDADRB2ADORA1
Hydrochloric Acid SCHEMBL9996083 0.67 ESR1 (0.54)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6414145-B1 TREATING CANCER AND NEUROFIBROMATOSIS ZENECA LIMITED (GB) 2002-07-02 US disclosed
EP-0975603-A1 INHIBITORS OF FARNESYL PROTEIN TRANSFERASE ZENECA LIMITED (GB) 2000-02-02 EP disclosed
WO-1998032741-A1 INHIBITORS OF FARNESYL PROTEIN TRANSFERASE ZENECA LIMITED (GB) 1998-07-30 WO disclosed