SCHEMBL9525878

SCHEMBL9525878

COC(=O)[C@H](CC(C)C)NC(=O)c1cccc2c1SCc1c(C(=O)C(C#N)C(=O)Nc3ccccc3)nn(-c3ccccc3)c1-2

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.34
MAPT P10636 2/20 0.34
MAPK1 P28482 1/20 0.34
ATM Q13315 1/20 0.34
FNTA P49354 3/20 0.34
PGGT1B P53609 3/20 0.34
FNTB P49356 1/20 0.34
CTSL P07711 2/20 0.33
CNR1 P21554 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
TAS1R3 Q7RTX0 2/20 0.32
TAS1R1 Q7RTX1 2/20 0.32
CTSB P07858 1/20 0.32
CTSS P25774 1/20 0.32
CTSK P43235 1/20 0.32
POLB P06746 1/20 0.32
CLPP Q16740 2/20 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
SCHEMBL9523403 0.94 F3 (0.36) FNTAPGGT1BFNTBCTSLCLPP
SCHEMBL9525917 0.92 CNR1 (0.42) CTSLCNR1POLB
SCHEMBL9525427 0.92 KMT2A (0.33) KMT2AMAPTCNR1
SCHEMBL9525756 0.88 CARM1 (0.32) KMT2AMAPTCNR1
SCHEMBL9523565 0.87 TAS1R3 (0.36) KMT2AMAPTMAPK1ATMCTSL
SCHEMBL9522404 0.87 KMT2A (0.41) KMT2AMAPT
SCHEMBL9522547 0.86 CNR1 (0.39) CTSLCNR1
SCHEMBL9523370 0.86 KDR (0.34) KMT2AMAPT
SCHEMBL9316750 0.85 PIK3CD (0.34)
SCHEMBL9522525 0.84 KEAP1 (0.35) KMT2A

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