SCHEMBL15775390

SCHEMBL15775390

O=c1oc(-c2ccc(Cl)cc2)cc2c([N+](=O)[O-])cccc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TNKS O95271 2/20 0.46
▸ MEN1 O00255 4/20 0.45
▸ KMT2A Q03164 4/20 0.45
▸ MAPT P10636 3/20 0.45
▸ ALDH1A1 P00352 4/20 0.45
▸ TDP1 Q9NUW8 2/20 0.45
▸ MAOA P21397 1/20 0.44
▸ GABRP O00591 1/20 0.43
▸ GABRD O14764 1/20 0.43
▸ GABRA1 P14867 1/20 0.43
▸ GABRB1 P18505 1/20 0.43
▸ GABRG2 P18507 1/20 0.43
▸ GABRB3 P28472 1/20 0.43
▸ GABRA5 P31644 1/20 0.43
▸ GABRA3 P34903 1/20 0.43
▸ GABRA2 P47869 1/20 0.43
▸ GABRB2 P47870 1/20 0.43
▸ GABRA4 P48169 1/20 0.43
▸ GABRE P78334 1/20 0.43
▸ GABRA6 Q16445 1/20 0.43

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
SCHEMBL15775344 0.87 MAOA (0.57) TNKSMEN1KMT2AMAPTALDH1A1
SCHEMBL15775643 0.86 MAOB (0.46) TNKSMEN1KMT2AMAPTALDH1A1
SCHEMBL15775345 0.83 ALDH1A1 (0.59) TNKSMEN1KMT2AMAPTALDH1A1
SCHEMBL15775766 0.73 PARP1 (0.63) TNKSKMT2AALDH1A1TDP1PARP1
SCHEMBL5067323 0.70 TDP1 (0.49) MEN1KMT2AMAPTALDH1A1TDP1
SCHEMBL5311674 0.69 GABRP (0.56) TNKSMEN1KMT2AMAPTALDH1A1
SCHEMBL28548525 0.69 PTGES (0.51) TNKSMEN1KMT2AMAPTALDH1A1
SCHEMBL28276841 0.68 PTGES (0.67) TNKSMEN1KMT2AMAPTALDH1A1
SCHEMBL3364130 0.67 GPR35 (0.52) MEN1KMT2AMAPTALDH1A1TDP1
SCHEMBL29461466 0.67 PTGES (0.53) TNKSMEN1KMT2AMAPTALDH1A1

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-2014087165-A1 TANKYRASE INHIBITORS UNIVERSITY OF BATH (GB) 2014-06-12 — — WO disclosed
Send feedback