SCHEMBL10032345

SCHEMBL10032345

c1ccc(-c2ccc3ccc4ccc(-c5ccc(-c6ccc(-c7ccc8ccc9ccc(-c%10ccccc%10)cc9c8n7)cc6)cc5)nc4c3c2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.45
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
RAB9A P51151 1/20 0.43
PLG P00747 1/20 0.42
PLAU P00749 1/20 0.42
ESR1 P03372 2/20 0.40
ESR2 Q92731 2/20 0.40
BACE1 P56817 1/20 0.40
FGFR1 P11362 1/20 0.40
DHODH Q02127 1/20 0.39
ALK Q9UM73 1/20 0.39
CDK4 P11802 1/20 0.39
CCND1 P24385 1/20 0.39
JAK2 O60674 1/20 0.39
CYP1A1 P04798 1/20 0.39
CYP1B1 Q16678 1/20 0.39
ADORA2A P29274 1/20 0.38
ADORA1 P30542 1/20 0.38
ALDH1A1 P00352 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
SCHEMBL10032418 1.00 PARP1 (0.45) PARP1MEN1KMT2ARAB9APLG
SCHEMBL10032355 0.96 PARP1 (0.46) PARP1MEN1KMT2ARAB9APLG
SCHEMBL10032457 0.96 PARP1 (0.46) PARP1MEN1KMT2ARAB9APLG
SCHEMBL10032535 0.93 PARP1 (0.41) PARP1MEN1KMT2ARAB9APLG
SCHEMBL10032361 0.93 PARP1 (0.43) PARP1MEN1KMT2ARAB9APLG
SCHEMBL10032456 0.93 PARP1 (0.43) PARP1MEN1KMT2ARAB9APLG
SCHEMBL10032348 0.93 PARP1 (0.43) PARP1MEN1KMT2ARAB9APLG
SCHEMBL31198218 0.93 PARP1 (0.43) PARP1MEN1KMT2ARAB9APLG
SCHEMBL10032321 0.93 PARP1 (0.43) PARP1MEN1KMT2ARAB9APLG
SCHEMBL10032537 0.92 PARP1 (0.40) PARP1MEN1KMT2ARAB9APLG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8114529-B2 Material for lighting emitting device and light emitting device TORAY INDUSTRIES, INC. (JP) 2012-02-14 US disclosed
US-8114529-B2 Material for lighting emitting device and light emitting device TORAY INDUSTRIES, INC. (JP) 2012-02-14 US disclosed
US-20070267958-A1 Material for Light Emitting Device and Light Emitting Device TORAY INDUSTRIES, INC. (JP) 2007-11-22 US disclosed
US-20070267958-A1 Material for Light Emitting Device and Light Emitting Device TORAY INDUSTRIES, INC. (JP) 2007-11-22 US disclosed