SCHEMBL27739969

SCHEMBL27739969

NC(=O)c1ccc(N2CCCCCC2)nc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ UBE2T Q9NPD8 1/20 0.69
▸ OPRM1 P35372 1/20 0.60
▸ OPRK1 P41145 1/20 0.60
▸ ALDH1A1 P00352 5/20 0.57
▸ HPGD P15428 3/20 0.57
▸ KDM4E B2RXH2 1/20 0.57
▸ POLB P06746 1/20 0.57
▸ ALOX15 P16050 1/20 0.57
▸ HSD17B10 Q99714 1/20 0.57
▸ HRH3 Q9Y5N1 7/20 0.53
▸ PARP1 P09874 1/20 0.52
▸ SMN1; SMN2 Q16637 3/20 0.51
▸ SMO Q99835 1/20 0.51
▸ LMNA P02545 1/20 0.50
▸ MAPT P10636 1/20 0.50
▸ ALOX12 P18054 1/20 0.50
▸ NPSR1 Q6W5P4 1/20 0.50
▸ AOC3 Q16853 1/20 0.49
▸ NNMT P40261 1/20 0.49
▸ KDM1A O60341 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
SCHEMBL29074197 1.00 UBE2T (0.69) UBE2TOPRM1OPRK1ALDH1A1HPGD
SCHEMBL30415822 1.00 UBE2T (0.69) UBE2TOPRM1OPRK1ALDH1A1HPGD
Hydrochloric Acid SCHEMBL5008434 0.98 UBE2T (0.67) UBE2TOPRM1OPRK1ALDH1A1HPGD
SCHEMBL30289763 0.98 UBE2T (0.71) UBE2TOPRM1OPRK1ALDH1A1HPGD
SCHEMBL29475033 0.98 UBE2T (0.71) UBE2TOPRM1OPRK1ALDH1A1HPGD
Hydrochloric Acid SCHEMBL5010433 0.97 UBE2T (0.69) UBE2TOPRM1OPRK1ALDH1A1HPGD
SCHEMBL29847287 0.87 UBE2T (0.60) UBE2TOPRM1OPRK1ALDH1A1HPGD
SCHEMBL27930875 0.85 UBE2T (0.54) UBE2TOPRM1OPRK1ALDH1A1HPGD
SCHEMBL28694330 0.85 ALDH1A1 (0.64) UBE2TOPRM1OPRK1ALDH1A1HPGD
SCHEMBL4850532 0.85 UBE2T (0.61) UBE2TALDH1A1HPGDKDM4EPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101437800-A Compounds and compositions as HEDGEHOG pathway modulators IRM LLC (BM) 2009-05-20 — — CN claimed
CN-102746285-B Compounds and compositions as HEDGEHOG pathway modulators 太阳制药国际公司 2022-01-14 — — CN disclosed
CN-101437800-A Compounds and compositions as HEDGEHOG pathway modulators IRM LLC (BM) 2009-05-20 — — CN disclosed
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