SCHEMBL8969858

SCHEMBL8969858

COc1ccc2c(=N)n3ccccc3nc2c1OC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 5/20 0.43
KDM4E B2RXH2 5/20 0.41
ALDH1A1 P00352 5/20 0.41
HPGD P15428 4/20 0.41
HSD17B10 Q99714 4/20 0.41
LMNA P02545 2/20 0.41
CYP1A2 P05177 2/20 0.41
TSHR P16473 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
TP53 P04637 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C19 P33261 1/20 0.41
TUBB4A P04350 2/20 0.39
TUBB P07437 2/20 0.39
TUBA3C P0DPH7 2/20 0.39
TUBA1B P68363 2/20 0.39
TUBA4A P68366 2/20 0.39
TUBB4B P68371 2/20 0.39

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
SCHEMBL8969565 0.77 HTR6 (0.43) HTR6KDM4EALDH1A1HPGDHSD17B10
SCHEMBL8969078 0.76 HTR6 (0.42) HTR6KDM4EALDH1A1HPGDHSD17B10
SCHEMBL8968935 0.75 HTR6 (0.45) HTR6KDM4EALDH1A1HPGDHSD17B10
SCHEMBL8968885 0.73 PARP1 (0.42) HTR6KDM4EALDH1A1HPGDHSD17B10
SCHEMBL8968450 0.71 HTR6 (0.44) HTR6KDM4EALDH1A1HPGDHSD17B10
SCHEMBL8969697 0.70 HTR6 (0.46) HTR6KDM4EALDH1A1HPGDHSD17B10
SCHEMBL25414413 0.70 PIK3CD (0.36) KDM4EALDH1A1HPGDHSD17B10KMT2A
SCHEMBL8968396 0.70 HTR6 (0.47) HTR6KDM4EALDH1A1HPGDHSD17B10
SCHEMBL8968971 0.70 PARP1 (0.42) HTR6KDM4EALDH1A1HPGDHSD17B10
SCHEMBL8969057 0.70 PARP1 (0.42) HTR6KDM4EALDH1A1HPGDHSD17B10

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-5486512-A LEARNING ENHANCEMENT WARNER-LAMBERT COMPANY (US) 1996-01-23 US disclosed
WO-1993003034-A1 QUINAZOLINE DERIVATIVES AS ACETYLCHOLINESTERASE INHIBITORS WARNER-LAMBERT COMPANY (US) 1993-02-18 WO disclosed