SCHEMBL8123280

SCHEMBL8123280

CSC(Nc1ccc(NC(C)=O)cc1)=C(C#N)C#N

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 7/20 0.54
▸ MEN1 O00255 4/20 0.50
▸ SMN1; SMN2 Q16637 3/20 0.50
▸ ALDH1A1 P00352 3/20 0.50
▸ KDM4E B2RXH2 2/20 0.50
▸ L3MBTL1 Q9Y468 2/20 0.50
▸ RAB9A P51151 2/20 0.50
▸ HPGD P15428 1/20 0.50
▸ CYP2C19 P33261 1/20 0.50
▸ HTT P42858 1/20 0.50
▸ MAPT P10636 3/20 0.48
▸ TSHR P16473 2/20 0.48
▸ TDP1 Q9NUW8 1/20 0.48
▸ CA12 O43570 1/20 0.48
▸ BRD4 O60885 1/20 0.48
▸ NR1I2 O75469 1/20 0.48
▸ CA1 P00915 1/20 0.48
▸ CA2 P00918 1/20 0.48
▸ MB P02144 1/20 0.48
▸ CYP1A1 P04798 1/20 0.48

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
SCHEMBL8128211 0.82 ALDH1A1 (0.47) KMT2AMEN1SMN1; SMN2ALDH1A1L3MBTL1
SCHEMBL8126275 0.81 HTT (0.61) KMT2AMEN1SMN1; SMN2ALDH1A1L3MBTL1
SCHEMBL10453690 0.81 LMNA (0.49) KMT2AMEN1SMN1; SMN2ALDH1A1KDM4E
SCHEMBL8126525 0.81 LMNA (0.43) KMT2AMEN1SMN1; SMN2ALDH1A1L3MBTL1
SCHEMBL3663000 0.80 ALDH1A1 (0.55) KMT2AMEN1SMN1; SMN2ALDH1A1L3MBTL1
SCHEMBL15271271 0.79 SMN1; SMN2 (0.47) KMT2AMEN1SMN1; SMN2ALDH1A1KDM4E
SCHEMBL8125200 0.79 CYP17A1 (0.44) KMT2AMEN1ALDH1A1L3MBTL1HTT
SCHEMBL8129896 0.78 ALDH1A1 (0.51) KMT2AMEN1SMN1; SMN2ALDH1A1KDM4E
SCHEMBL10154433 0.77 KMT2A (0.56) KMT2AMEN1SMN1; SMN2ALDH1A1KDM4E
SCHEMBL8115817 0.74 TP53 (0.67) KMT2AMEN1SMN1; SMN2ALDH1A1RAB9A

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-0819129-B1 PYRAZOLE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF NOVARTIS AG (CH) 2000-08-02 — — EP disclosed
US-5981533-A INHIBIT THE TYROSINE KINASE ACTIVITY OF THE RECEPTOR FOR EPIDERMAL GROWTH FACTOR AND CAN BE USED IN THE CASE OF EPIDERMAL HYPERPROLIFERATION (PSORIASIS) AND AS ANTI-TUMOR AGENTS NOVARTIS AG (CH) 1999-11-09 — — US disclosed
WO-1998014449-A1 FUSED PYRAZOLE DERIVATIVES AND PROCESSES FOR THEIR PREPARATION NOVARTIS AG (CH) 1998-04-09 — — WO disclosed
EP-0819129-A1 PYRAZOLE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF Novartis AG (CH) 1998-01-21 — — EP disclosed
WO-1996031510-A1 PYRAZOLE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF NOVARTIS AG (CH) 1996-10-10 — — WO disclosed
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