SCHEMBL27896416

SCHEMBL27896416

O=CNC1CCCN1C(=O)Cc1cccs1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 3/20 0.46
▸ KMT2A Q03164 3/20 0.46
▸ ALDH1A1 P00352 3/20 0.46
▸ SMN1; SMN2 Q16637 3/20 0.46
▸ HSD17B10 Q99714 2/20 0.44
▸ HTT P42858 2/20 0.43
▸ ADAM17 P78536 4/20 0.41
▸ SIGMAR1 Q99720 2/20 0.41
▸ POLB P06746 2/20 0.41
▸ MAPT P10636 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL27896515 0.80 HSD17B10 (0.50) MEN1KMT2AALDH1A1SMN1; SMN2HSD17B10
SCHEMBL27896408 0.80 MC4R (0.48) ALDH1A1POLBL3MBTL1
SCHEMBL6185857 0.78 HRH3 (0.53) MEN1KMT2AALDH1A1SMN1; SMN2HSD17B10
SCHEMBL6184573 0.78 ALDH1A1 (0.51) MEN1KMT2AALDH1A1SMN1; SMN2HSD17B10
SCHEMBL6746536 0.78 HRH3 (0.53) MEN1KMT2AALDH1A1SMN1; SMN2HSD17B10
SCHEMBL27879612 0.75 SMN1; SMN2 (0.57) ALDH1A1SMN1; SMN2POLB
SCHEMBL27879607 0.75 ADAM17 (0.41) ALDH1A1SMN1; SMN2HTTADAM17POLB
SCHEMBL27879645 0.74 SIGMAR1 (0.45) ALDH1A1SIGMAR1POLB
SCHEMBL27879623 0.73 KMT2A (0.48) MEN1KMT2AALDH1A1SIGMAR1MAPT
SCHEMBL7238470 0.72 ALDH1A1 (0.53) MEN1KMT2AALDH1A1SMN1; SMN2HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102791693-A Hepatitis c virus inhibitors BRISTOL MYERS SQUIBB CO 2012-11-21 — — CN claimed
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