SCHEMBL9528683

SCHEMBL9528683

CC(O)=C(C#N)C(=O)Nc1ccc(-c2ccc(C(C)(C)C)cc2)n1C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DHODH Q02127 12/20 0.49
▸ PGR P06401 3/20 0.41
▸ MEN1 O00255 3/20 0.40
▸ ALDH1A1 P00352 3/20 0.40
▸ KMT2A Q03164 3/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ GAA P10253 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ PKM P14618 1/20 0.40
▸ ALOX15 P16050 1/20 0.40
▸ TSHR P16473 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ THRB P10828 1/20 0.40
▸ BLM P54132 1/20 0.40
▸ BTK Q06187 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ PLK3 Q9H4B4 1/20 0.40
▸ POLB P06746 1/20 0.39
▸ MAPT P10636 1/20 0.39

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
SCHEMBL9812374 0.76 DHODH (0.78) DHODHMEN1ALDH1A1KMT2ACYP1A2
SCHEMBL9812376 0.76 DHODH (0.78) DHODHMEN1ALDH1A1KMT2ACYP1A2
SCHEMBL9529031 0.72 DHODH (0.50) DHODHMEN1ALDH1A1KMT2ACYP1A2
SCHEMBL9529028 0.72 DHODH (0.50) DHODHMEN1ALDH1A1KMT2ACYP1A2
SCHEMBL9525750 0.72 DHODH (0.50) DHODHMEN1ALDH1A1KMT2ACYP1A2
SCHEMBL9526469 0.71 DHODH (0.51) DHODHMEN1ALDH1A1KMT2ACYP1A2
SCHEMBL9526472 0.71 DHODH (0.51) DHODHMEN1ALDH1A1KMT2ACYP1A2
SCHEMBL9526022 0.70 DHODH (0.47) DHODHMEN1ALDH1A1KMT2ACYP1A2
SCHEMBL9525592 0.70 MRE11 (0.52) DHODHMEN1ALDH1A1KMT2AGAA
SCHEMBL9781555 0.70 MRE11 (0.52) DHODHMEN1ALDH1A1KMT2AGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0259972-B1 HETEROCYCLIC PROPENE AMIDE DERIVATIVES, PROCESSES FOR THEIR PREPARATION AND THEIR USE AS PHARMACEUTICALS LILLY INDUSTRIES LIMITED (GB) 1993-07-14 — — EP disclosed
US-4983619-A Leukotriene antagonists LILLY INDUSTRIES LIMITED (GB) 1991-01-08 — — US disclosed
EP-0259972-A2 Heterocyclic propene amide derivatives, processes for their preparation and their use as pharmaceuticals LILLY INDUSTRIES LIMITED (GB) 1988-03-16 — — EP disclosed
Send feedback