SCHEMBL9080385

SCHEMBL9080385

CC(O)=C(C#N)C(=O)Nc1ccc(C(=O)c2ccc(Br)cc2)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 9/20 0.62
MEN1 O00255 5/20 0.58
KMT2A Q03164 5/20 0.58
ALDH1A1 P00352 4/20 0.58
TSHR P16473 2/20 0.58
CYP1A2 P05177 1/20 0.58
CYP3A4 P08684 1/20 0.58
GAA P10253 1/20 0.58
CYP2C9 P11712 1/20 0.58
PKM P14618 1/20 0.58
ALOX15 P16050 1/20 0.58
LMNA P02545 1/20 0.58
THRB P10828 1/20 0.58
BLM P54132 1/20 0.58
BTK Q06187 1/20 0.58
NPSR1 Q6W5P4 1/20 0.58
PLK3 Q9H4B4 1/20 0.58
L3MBTL1 Q9Y468 1/20 0.45
MAPT P10636 4/20 0.45
KDM4E B2RXH2 2/20 0.45

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
SCHEMBL8810683 1.00 DHODH (0.62) DHODHMEN1KMT2AALDH1A1TSHR
SCHEMBL5914890 0.93 DHODH (0.70) DHODHMEN1KMT2AALDH1A1TSHR
SCHEMBL5914891 0.93 DHODH (0.70) DHODHMEN1KMT2AALDH1A1TSHR
SCHEMBL8810121 0.89 DHODH (0.74) DHODHMEN1KMT2AALDH1A1NPSR1
SCHEMBL9080958 0.89 DHODH (0.74) DHODHMEN1KMT2AALDH1A1NPSR1
SCHEMBL8812418 0.87 DHODH (0.63) DHODHMEN1KMT2AALDH1A1TSHR
SCHEMBL9081360 0.87 DHODH (0.63) DHODHMEN1KMT2AALDH1A1TSHR
SCHEMBL8811901 0.86 DHODH (0.62) DHODHMEN1KMT2AALDH1A1TSHR
SCHEMBL8811754 0.86 DHODH (0.63) DHODHMEN1KMT2AALDH1A1TSHR
SCHEMBL8809976 0.86 DHODH (0.63) DHODHMEN1KMT2AALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5532259-A ANTITUMOR HOECHST AKTIENGESELLSCHAFT (DE) 1996-07-02 US disclosed
US-5494911-A TREATING LEUKEMIA, SARCOMA, CARCINOMA, LYMPHOMA, SKIN CANCER HOECHST AKTIENGESELLSCHAFT (DE) 1996-02-27 US disclosed