SCHEMBL10404147

SCHEMBL10404147

COC(=O)Nc1nnc([S])s1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.53
ALDH1A1 P00352 5/20 0.53
HPGD P15428 4/20 0.53
HSD17B10 Q99714 2/20 0.53
GAA P10253 2/20 0.53
RCE1 Q9Y256 1/20 0.53
NPC1 O15118 4/20 0.51
RAB9A P51151 4/20 0.51
MAPT P10636 3/20 0.51
KMT2A Q03164 1/20 0.51
SMN1; SMN2 Q16637 4/20 0.49
POLB P06746 1/20 0.49
TP53 P04637 1/20 0.49
PKM P14618 1/20 0.49
CASP3 P42574 1/20 0.49
SENP8 Q96LD8 1/20 0.49
SENP7 Q9BQF6 1/20 0.49
SENP6 Q9GZR1 1/20 0.49
LMNA P02545 3/20 0.48
GLA P06280 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
SCHEMBL10990096 0.77 KDM4E (0.53) KDM4EALDH1A1HPGDHSD17B10GAA
SCHEMBL10404148 0.77 KDM4E (0.53) KDM4EALDH1A1HPGDHSD17B10GAA
SCHEMBL19685068 0.72 POLB (0.48) KDM4EALDH1A1HPGDHSD17B10GAA
SCHEMBL2421423 0.70 KDM4E (0.75) KDM4EALDH1A1HPGDHSD17B10GAA
SCHEMBL10639077 0.69 POLB (0.60) ALDH1A1MAPTSMN1; SMN2POLBPKM
SCHEMBL17131930 0.67 ALDH1A1 (0.56) ALDH1A1HPGDHSD17B10GAARAB9A
SCHEMBL1280046 0.65 RAB9A (0.55) KDM4EALDH1A1HPGDHSD17B10GAA
SCHEMBL1280045 0.65 KDM4E (0.41) KDM4EALDH1A1HPGDHSD17B10GAA
SCHEMBL15943684 0.64 RAB9A (0.57) GAANPC1RAB9AMAPTKMT2A
SCHEMBL4479801 0.63 SMN1; SMN2 (0.56) NPC1RAB9ASMN1; SMN2PKMLMNA

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-4914206-A ANTIBIOTICS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1990-04-03 US disclosed
EP-0226896-A2 Lankacidin derivatives and production thereof Takeda Chemical Industries, Ltd. (JP) 1987-07-01 EP disclosed