SCHEMBL8969949

SCHEMBL8969949

N=c1c2cccc(Br)c2nc2n1C1CC3CC(CC2C3)C1

nearest known ligand 0.32

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 1/20 0.32
ALDH1A1 P00352 1/20 0.31
MEN1 O00255 1/20 0.30
HPGD P15428 1/20 0.30
CYP2C19 P33261 1/20 0.30
KMT2A Q03164 1/20 0.30
ENPP3 O14638 1/20 0.30
ENPP1 P22413 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
SCHEMBL8968721 0.85 KDM4E (0.38) HRH4ALDH1A1MEN1HPGDKMT2A
SCHEMBL8968606 0.84 ACHE (0.39)
SCHEMBL8969708 0.81 ALDH1A1 (0.38) ALDH1A1CYP2C19
SCHEMBL8968188 0.79 ACHE (0.32)
SCHEMBL8968555 0.74 MPO (0.36) HRH4
SCHEMBL8969462 0.70 PIK3CD (0.31)
SCHEMBL8969661 0.69 BCHE (0.34) HRH4ALDH1A1
SCHEMBL8969422 0.69 HRH4 (0.34) HRH4
SCHEMBL8969894 0.69 KDM4E (0.38) HRH4ALDH1A1
SCHEMBL8968270 0.68

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