SCHEMBL16740591

SCHEMBL16740591

Oc1ccc(C2CC(c3ccc[nH]3)NN2c2cccc(Cl)c2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCZ Q05513 11/20 0.53
ALDH1A1 P00352 2/20 0.36
LMNA P02545 2/20 0.36
MEN1 O00255 1/20 0.36
MAPT P10636 1/20 0.36
KMT2A Q03164 1/20 0.36
APOBEC3G Q9HC16 1/20 0.36
MAOA P21397 2/20 0.33
MAOB P27338 2/20 0.33
ALOX12 P18054 1/20 0.32
HTR6 P50406 2/20 0.32
TP53 P04637 2/20 0.32
HTR3E A5X5Y0 1/20 0.32
HTR3B O95264 1/20 0.32
CYP1A2 P05177 1/20 0.32
ADRB1 P08588 1/20 0.32
CYP3A4 P08684 1/20 0.32
HTR1A P08908 1/20 0.32
CYP2D6 P10635 1/20 0.32
THRB P10828 1/20 0.32

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
SCHEMBL16740602 0.69 PRKCZ (1.00) PRKCZMEN1KMT2AMAOAMAOB
SCHEMBL16740583 0.60 PRKCZ (1.00) PRKCZMEN1KMT2AMAOAMAOB
SCHEMBL28801722 0.55 ALOX5 (0.44) MEN1KMT2AHTR6TP53HTR3E
SCHEMBL18177888 0.54 DRD2 (0.65) ALDH1A1LMNAMEN1MAPTKMT2A
SCHEMBL10349573 0.54 PRKCZ (0.48) PRKCZALDH1A1MAOAMAOBHTR6
SCHEMBL14680371 0.53 ALDH1A1 (1.00) ALDH1A1LMNAMEN1MAPTKMT2A
SCHEMBL1133351 0.53 ALOX5 (0.52) ALDH1A1MEN1MAPTKMT2AHTR6
SCHEMBL10948802 0.53 MEN1 (0.49) ALDH1A1LMNAMEN1MAPTKMT2A
SCHEMBL11100857 0.52 ALDH1A1 (0.75) ALDH1A1LMNAMAPTALOX12HTR6
Parachlorophenol SCHEMBL7749035 0.52 TSHR (0.81) ALDH1A1LMNAMEN1MAPTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2015075051-A1 ALLOSTERIC INHIBITORS OF ATYPICAL PROTEIN KINASES C UNIVERSITAET DES SAARLANDES (DE) 2015-05-28 WO disclosed