SCHEMBL9831040

SCHEMBL9831040

N#CC(C(=O)Nc1cccc(Cl)c1)C(=O)c1nn(-c2ccccc2)c2c1CSc1ccc(Cl)cc1-2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 2/20 0.41
MEN1 O00255 4/20 0.39
KMT2A Q03164 4/20 0.39
POLB P06746 1/20 0.39
KCNJ6 P48051 4/20 0.38
KCNJ3 P48549 4/20 0.38
KCNJ5 P48544 3/20 0.38
MAPT P10636 6/20 0.38
TP53 P04637 2/20 0.37
CCNA2 P20248 1/20 0.36
CDK2 P24941 1/20 0.36
CCNA1 P78396 1/20 0.36
ALDH1A1 P00352 3/20 0.36
HSD17B10 Q99714 3/20 0.36
KDM4E B2RXH2 2/20 0.36
GAA P10253 1/20 0.36
ALOX15 P16050 1/20 0.36
LMNA P02545 1/20 0.35
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL9833865 0.96 POLB (0.39) RIPK1MEN1KMT2APOLBKCNJ6
SCHEMBL9316496 0.96 MEN1 (0.40) RIPK1MEN1KMT2APOLBKCNJ6
SCHEMBL9316263 0.94 RIPK1 (0.41) RIPK1MEN1KMT2AKCNJ6KCNJ3
SCHEMBL9833256 0.94 RIPK1 (0.39) RIPK1MEN1KMT2APOLBKCNJ6
SCHEMBL10571543 0.94 RIPK1 (0.42) RIPK1MEN1KMT2AKCNJ6KCNJ3
SCHEMBL9832608 0.94 NPC1 (0.40) RIPK1MEN1KMT2APOLBKCNJ6
SCHEMBL9523052 0.93 RIPK1 (0.37) RIPK1MEN1KMT2APOLBKCNJ6
SCHEMBL9523690 0.93 RIPK1 (0.38) RIPK1MEN1KMT2APOLBKCNJ6
SCHEMBL9832532 0.92 ALDH1A1 (0.42) RIPK1MEN1KMT2APOLBKCNJ6
SCHEMBL9831199 0.92 MAPT (0.39) RIPK1MEN1KMT2AKCNJ6KCNJ3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0274443-B1 HETEROARYL 3-OXO-PROPANENITRILE DERIVATIVES AND PROCESS FOR THEIR PREPARATION FARMITALIA CARLO ERBA S.r.l. (IT) 1991-05-29 EP claimed
EP-0274443-A1 Heteroaryl 3-oxo-propanenitrile derivatives and process for their preparation FARMITALIA CARLO ERBA S.r.l. (IT) 1988-07-13 EP claimed
EP-0274443-B1 HETEROARYL 3-OXO-PROPANENITRILE DERIVATIVES AND PROCESS FOR THEIR PREPARATION FARMITALIA CARLO ERBA S.r.l. (IT) 1991-05-29 EP disclosed
US-4816467-A BACTERICIDES, VIRICIDES FARMITALIA CARLO ERBA S.R.L (IT) 1989-03-28 US disclosed
EP-0274443-A1 Heteroaryl 3-oxo-propanenitrile derivatives and process for their preparation FARMITALIA CARLO ERBA S.r.l. (IT) 1988-07-13 EP disclosed