SCHEMBL9503252

SCHEMBL9503252

Cc1ccc(Cc2ccccc2)nc1C

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.44
BRD4 O60885 1/20 0.44
CALM1 P0DP23 1/20 0.42
FEN1 P39748 1/20 0.41
LMNA P02545 1/20 0.39
HSD17B10 Q99714 1/20 0.39
NPC1 O15118 1/20 0.39
MAPK1 P28482 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
NOS3 P29474 1/20 0.39
NOS1 P29475 1/20 0.39
NOS2 P35228 1/20 0.39
KMT2A Q03164 1/20 0.39
POLB P06746 1/20 0.38
GAA P10253 1/20 0.38

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
SCHEMBL9025481 0.81 HSP90AB1 (0.46) ALDH1A1MAPK1L3MBTL1KMT2APOLB
SCHEMBL4434815 0.74 CALM1 (0.41) ALDH1A1BRD4CALM1LMNAL3MBTL1
SCHEMBL9026500 0.74 SMN1; SMN2 (0.50) ALDH1A1LMNAHSD17B10SMN1; SMN2L3MBTL1
SCHEMBL1563589 0.73 SMN1; SMN2 (0.56) ALDH1A1BRD4CALM1SMN1; SMN2KMT2A
SCHEMBL11330543 0.73 KCNH2 (0.62) ALDH1A1BRD4CALM1RAB9ASMN1; SMN2
SCHEMBL10529725 0.72 ALDH1A1 (0.48) ALDH1A1BRD4CALM1FEN1RAB9A
SCHEMBL10728920 0.72 APOBEC3A (0.47) ALDH1A1BRD4SMN1; SMN2KMT2APOLB
SCHEMBL10730430 0.72 NOS3 (0.46) L3MBTL1NOS3NOS1NOS2POLB
SCHEMBL19413635 0.71 NOS3 (0.41) ALDH1A1HSD17B10MAPK1NOS3NOS1
SCHEMBL19591020 0.71 GRM4 (0.43) ALDH1A1BRD4CALM1L3MBTL1NOS2

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
US-5185339-A FUNGICIDAL COMPOUNDS IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1993-02-09 US disclosed
EP-0459662-A1 Fungicidal compounds ZENECA LIMITED (GB) 1991-12-04 EP disclosed