SCHEMBL9081174

SCHEMBL9081174

CC(O)=C(C#N)C(=O)Nc1cc(C)cc(C)n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LCK P06239 1/20 0.50
▸ MAPK1 P28482 2/20 0.48
▸ ALDH1A1 P00352 3/20 0.47
▸ SMN1; SMN2 Q16637 2/20 0.47
▸ MEN1 O00255 2/20 0.46
▸ KMT2A Q03164 2/20 0.46
▸ LMNA P02545 2/20 0.46
▸ CYP1A2 P05177 1/20 0.46
▸ CYP3A4 P08684 1/20 0.46
▸ GAA P10253 1/20 0.46
▸ CYP2C9 P11712 1/20 0.46
▸ PKM P14618 1/20 0.46
▸ ALOX15 P16050 1/20 0.46
▸ TSHR P16473 1/20 0.46
▸ THRB P10828 1/20 0.46
▸ BLM P54132 1/20 0.46
▸ BTK Q06187 1/20 0.46
▸ NPSR1 Q6W5P4 1/20 0.46
▸ PLK3 Q9H4B4 1/20 0.46
▸ DHODH Q02127 6/20 0.46

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
SCHEMBL8813027 1.00 LCK (0.50) LCKMAPK1ALDH1A1SMN1; SMN2MEN1
SCHEMBL8812551 0.81 KMT2A (0.49) ALDH1A1MEN1KMT2ALMNACYP1A2
SCHEMBL9080585 0.81 KMT2A (0.49) ALDH1A1MEN1KMT2ALMNACYP1A2
SCHEMBL30711612 0.76 LCK (0.67) LCKMAPK1ALDH1A1SMN1; SMN2MEN1
SCHEMBL4504096 0.76 LCK (0.67) LCKMAPK1ALDH1A1SMN1; SMN2MEN1
SCHEMBL50044 0.74 LCK (0.60) LCKMAPK1ALDH1A1SMN1; SMN2KMT2A
SCHEMBL8809685 0.71 RAB9A (0.50) ALDH1A1SMN1; SMN2GAAPKMDHODH
SCHEMBL9080024 0.71 RAB9A (0.50) ALDH1A1SMN1; SMN2GAAPKMDHODH
SCHEMBL12202668 0.71 DHODH (0.72) ALDH1A1SMN1; SMN2MEN1KMT2ALMNA
SCHEMBL13531076 0.71 DHODH (0.72) ALDH1A1SMN1; SMN2MEN1KMT2ALMNA

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
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