SCHEMBL19222069

SCHEMBL19222069

Cc1nc(C(C)C)c(-c2ccc3c(c2)OCO3)s1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 4/20 0.51
▸ HSD17B10 Q99714 2/20 0.51
▸ RAB9A P51151 7/20 0.50
▸ ALDH1A1 P00352 6/20 0.45
▸ KDM4E B2RXH2 4/20 0.45
▸ POLB P06746 1/20 0.45
▸ TRPV1 Q8NER1 1/20 0.44
▸ NPC1 O15118 6/20 0.43
▸ MAPT P10636 2/20 0.43
▸ PKM P14618 2/20 0.43
▸ HPGD P15428 2/20 0.43
▸ LMNA P02545 1/20 0.43
▸ TP53 P04637 1/20 0.43
▸ NFKB1 P19838 1/20 0.43
▸ NFKB2 Q00653 1/20 0.43
▸ RELA Q04206 1/20 0.43
▸ DCUN1D1 Q96GG9 2/20 0.43
▸ ALOX5 P09917 1/20 0.42
▸ MAPK1 P28482 1/20 0.41
▸ MAP2K4 P45985 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
SCHEMBL16433946 0.82 SMN1; SMN2 (0.56) SMN1; SMN2HSD17B10RAB9AALDH1A1KDM4E
SCHEMBL17621930 0.78 SMN1; SMN2 (0.51) SMN1; SMN2HSD17B10RAB9AALDH1A1KDM4E
SCHEMBL12597766 0.78 SMN1; SMN2 (0.51) SMN1; SMN2HSD17B10RAB9AALDH1A1KDM4E
SCHEMBL13216170 0.76 ALDH1A1 (0.62) SMN1; SMN2HSD17B10RAB9AALDH1A1KDM4E
SCHEMBL4037908 0.73 TGFBR1 (0.56) SMN1; SMN2HSD17B10RAB9AALDH1A1KDM4E
SCHEMBL13216166 0.71 KDM4E (0.65) SMN1; SMN2HSD17B10RAB9AALDH1A1KDM4E
SCHEMBL10242340 0.71 ALOX5 (0.58) RAB9AALDH1A1KDM4ENPC1MAPT
SCHEMBL4033819 0.70 TGFBR1 (0.59) SMN1; SMN2HSD17B10RAB9AALDH1A1KDM4E
SCHEMBL21565691 0.69 CLK4 (0.50) SMN1; SMN2HSD17B10RAB9AALDH1A1KDM4E
SCHEMBL14364230 0.69 HSD17B10 (0.48) SMN1; SMN2HSD17B10RAB9AALDH1A1KDM4E

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
US-9724418-B2 Drug combinations comprising a DGAT inhibitor and a PPAR-agonist JANSSEN PHARMACEUTICA NV (BE) 2017-08-08 — — US disclosed
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