SCHEMBL9542154

SCHEMBL9542154

CCC(CC)c1c(C)[nH]c2ccc([N+](=O)[O-])cc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.50
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
ALDH1A1 P00352 2/20 0.50
POLB P06746 2/20 0.50
PKM P14618 1/20 0.50
NPY1R P25929 1/20 0.50
NPY2R P49146 1/20 0.50
LMNA P02545 1/20 0.50
CTSV O60911 2/20 0.49
CTSL P07711 2/20 0.49
KDM4E B2RXH2 1/20 0.48
GAA P10253 1/20 0.48
CA12 O43570 2/20 0.48
CA9 Q16790 2/20 0.48
HTR2A P28223 1/20 0.47
HTR6 P50406 1/20 0.47
GABRA1 P14867 2/20 0.47
GABRG2 P18507 2/20 0.47
GABRB3 P28472 2/20 0.47

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
SCHEMBL9400558 0.84 MAPT (0.54) MAPTMEN1KMT2AALDH1A1POLB
SCHEMBL9400646 0.78 MAPT (0.54) MAPTMEN1KMT2AALDH1A1POLB
SCHEMBL4011471 0.77 ALDH1A1 (0.68) MAPTMEN1KMT2AALDH1A1POLB
SCHEMBL30312308 0.77 ALDH1A1 (0.68) MAPTMEN1KMT2AALDH1A1POLB
SCHEMBL5260301 0.77 VDR (0.49) MAPTMEN1KMT2AALDH1A1POLB
SCHEMBL29540314 0.77 GABRA1 (0.70) MAPTMEN1KMT2AALDH1A1POLB
SCHEMBL155013 0.77 GABRA1 (0.70) MAPTMEN1KMT2AALDH1A1POLB
SCHEMBL5653778 0.76 MAPT (0.51) MAPTMEN1KMT2AALDH1A1POLB
SCHEMBL9543434 0.75 KIF11 (0.39) MAPTALDH1A1KDM4EGAACA12
SCHEMBL26630415 0.75 MAPT (0.56) MAPTMEN1KMT2AALDH1A1POLB

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-1993010119-A1 HETEROCYCLIC COMPOUNDS THE WELLCOME FOUNDATION LIMITED (GB) 1993-05-27 WO disclosed