SCHEMBL9080024

SCHEMBL9080024

CC(O)=C(C#N)C(=O)Nc1nc(C)cs1

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 8/20 0.50
▸ NPC1 O15118 7/20 0.50
▸ MAPT P10636 2/20 0.50
▸ SMN1; SMN2 Q16637 4/20 0.46
▸ POLB P06746 2/20 0.46
▸ ALDH1A1 P00352 4/20 0.46
▸ HPGD P15428 3/20 0.46
▸ PKM P14618 1/20 0.46
▸ DHODH Q02127 1/20 0.46
▸ L3MBTL1 Q9Y468 2/20 0.44
▸ EPHX2 P34913 1/20 0.44
▸ KDM4E B2RXH2 1/20 0.44
▸ TP53 P04637 1/20 0.44
▸ GAA P10253 1/20 0.44
▸ HTT P42858 1/20 0.44
▸ HSD17B10 Q99714 1/20 0.44
▸ RCE1 Q9Y256 1/20 0.44

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
SCHEMBL8809685 1.00 RAB9A (0.50) RAB9ANPC1MAPTSMN1; SMN2POLB
SCHEMBL6374526 0.79 MAPT (0.53) RAB9ANPC1MAPTSMN1; SMN2POLB
SCHEMBL8813784 0.78 SMN1; SMN2 (0.60) MAPTSMN1; SMN2POLBALDH1A1PKM
SCHEMBL9081508 0.78 SMN1; SMN2 (0.60) MAPTSMN1; SMN2POLBALDH1A1PKM
SCHEMBL11225467 0.78 MAPT (0.62) RAB9ANPC1MAPTSMN1; SMN2POLB
SCHEMBL9345674 0.77 MAPT (0.50) RAB9ANPC1MAPTSMN1; SMN2POLB
SCHEMBL9345666 0.77 MAPT (0.50) RAB9ANPC1MAPTSMN1; SMN2POLB
SCHEMBL9525592 0.76 MRE11 (0.52) MAPTSMN1; SMN2ALDH1A1DHODHKDM4E
SCHEMBL9781555 0.76 MRE11 (0.52) MAPTSMN1; SMN2ALDH1A1DHODHKDM4E
SCHEMBL1691061 0.76 MAPT (0.68) RAB9ANPC1MAPTSMN1; SMN2POLB

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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