SCHEMBL10404148

SCHEMBL10404148

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
SCHEMBL970072 0.82 CA1 (0.60) KDM4EALDH1A1HPGDHSD17B10GAA
SCHEMBL8246439 0.80 SMN1; SMN2 (0.53) KDM4EALDH1A1HPGDHSD17B10NPC1
SCHEMBL6992440 0.78 TP53 (0.40) ALDH1A1GAANPC1RAB9AMAPT
SCHEMBL9360322 0.77 ALDH1A1 (0.39) ALDH1A1GAANPC1RAB9AKMT2A
SCHEMBL10990096 0.77 KDM4E (0.53) KDM4EALDH1A1HPGDHSD17B10GAA
SCHEMBL10404147 0.77 KDM4E (0.53) KDM4EALDH1A1HPGDHSD17B10GAA
SCHEMBL11327057 0.76 CA12 (0.62) ALDH1A1HSD17B10MAPTSMN1; SMN2POLB
SCHEMBL11424630 0.76 SMN1; SMN2 (0.49) KDM4EALDH1A1HPGDHSD17B10NPC1
SCHEMBL11090182 0.76 CA1 (0.37) KMT2ASMN1; SMN2TP53TSHRGLS
SCHEMBL11516768 0.76 ALDH1A1 (0.38) ALDH1A1GAANPC1RAB9AKMT2A

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