SCHEMBL9525574

SCHEMBL9525574

CCOC(=O)C(=O)Nc1ccc2c(c1)-c1c(c(C(=O)C(C#N)C(=O)Nc3cccc(C(F)(F)F)c3)nn1-c1ccccc1)CS2

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.37
KCNJ6 P48051 4/20 0.37
KCNJ5 P48544 4/20 0.37
KCNJ3 P48549 4/20 0.37
IDO1 P14902 1/20 0.37
KMT2A Q03164 2/20 0.36
ALDH1A1 P00352 2/20 0.36
POLB P06746 2/20 0.36
MEN1 O00255 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
KLKB1 P03952 1/20 0.34
NR3C1 P04150 1/20 0.34
MAPT P10636 2/20 0.34
TP53 P04637 2/20 0.34
RXFP1 Q9HBX9 1/20 0.34
IDH2 P48735 1/20 0.33

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
SCHEMBL9316085 0.93 MAPT (0.37) LMNAKMT2AALDH1A1MAPTTP53
SCHEMBL9525567 0.92 KCNJ6 (0.38) LMNAKCNJ6KCNJ5KCNJ3IDO1
SCHEMBL9525898 0.91 MAPT (0.40) LMNAKCNJ6KCNJ5KCNJ3KMT2A
SCHEMBL9522378 0.90 RIPK1 (0.38) LMNAKCNJ6KCNJ5KCNJ3KMT2A
SCHEMBL9522532 0.90 MAPT (0.39) LMNAALDH1A1MAPTTP53RXFP1
SCHEMBL9523726 0.88 CA1 (0.39) LMNAKMT2AALDH1A1MEN1SMN1; SMN2
SCHEMBL9316246 0.86 IDO1 (0.44) LMNAKCNJ6KCNJ5KCNJ3IDO1
SCHEMBL9316080 0.84 TP53 (0.37) LMNAMAPTTP53
SCHEMBL9522233 0.83 KMT2A (0.44) LMNAKMT2AALDH1A1MEN1CYP3A4
SCHEMBL9831503 0.82 IDO1 (0.40) LMNAKCNJ6KCNJ5KCNJ3IDO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0420883-B1 TRICYCLIC 3-OXO-PROPANENITRILE DERIVATIVES AND PROCESS FOR THEIR PREPARATION ERBA CARLO SPA (IT) 1993-11-03 EP disclosed
US-5166152-A Immunostimulants, bactericides, viricides, antitumor agents FARMITALIA CARLO ERBA S.R.L. (IT) 1992-11-24 US disclosed
EP-0420883-A1 TRICYCLIC 3-OXO-PROPANENITRILE DERIVATIVES AND PROCESS FOR THEIR PREPARATION. ERBA CARLO SPA (IT) 1991-04-10 EP disclosed
WO-1989012638-A1 TRICYCLIC 3-OXO-PROPANENITRILE DERIVATIVES AND PROCESS FOR THEIR PREPARATION FARMITALIA CARLO ERBA S.R.L. (IT) 1989-12-28 WO disclosed