SCHEMBL10537868

SCHEMBL10537868

O=C(NC1CCCC1)N(c1ccccc1)c1ccccc1

nearest known ligand 0.71

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PKM P14618 2/20 0.69
RAB9A P51151 5/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
EPHX1 P07099 3/20 0.51
EPHX2 P34913 2/20 0.51
GAA P10253 2/20 0.51
LMNA P02545 1/20 0.51
ALDH1A1 P00352 2/20 0.50
POLB P06746 1/20 0.49
NPC1 O15118 3/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
HTT P42858 1/20 0.49
AGTR2 P50052 1/20 0.48
HPGD P15428 2/20 0.47
KDM4E B2RXH2 1/20 0.47
GFER P55789 1/20 0.47
HSD17B10 Q99714 1/20 0.47

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
SCHEMBL9547523 0.98 PKM (0.71) PKMRAB9ASMN1; SMN2EPHX1EPHX2
SCHEMBL11537146 0.98 PKM (0.71) PKMRAB9ASMN1; SMN2EPHX1EPHX2
SCHEMBL18380885 0.93 PKM (0.58) PKMRAB9ASMN1; SMN2EPHX1EPHX2
SCHEMBL11422598 0.93 PKM (0.58) PKMRAB9ASMN1; SMN2EPHX1EPHX2
SCHEMBL18388053 0.93 PKM (0.58) PKMRAB9ASMN1; SMN2EPHX1EPHX2
SCHEMBL11814905 0.86 PKM (0.53) PKMRAB9ASMN1; SMN2GAAALDH1A1
SCHEMBL28798409 0.85 PKM (0.68) PKMRAB9ASMN1; SMN2EPHX1EPHX2
SCHEMBL27930078 0.83 PKM (0.53) PKMRAB9ASMN1; SMN2EPHX1EPHX2
SCHEMBL11811803 0.82 PKM (0.52) PKMEPHX2LMNAALDH1A1POLB
SCHEMBL28207670 0.81 PKM (0.68) PKMRAB9ASMN1; SMN2EPHX1EPHX2

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
US-4797419-A AGING RESISTANCE WARNER-LAMBERT COMPANY (US) 1989-01-10 US claimed
US-4797419-A AGING RESISTANCE WARNER-LAMBERT COMPANY (US) 1989-01-10 US disclosed
US-3932658-A Composition and method for lower blood sugar containing N-[4-(β-<2-methoxy-5-chloro-benzamido>-ethyl)-benzenesulfonyl]-N'-cyclopentyl-urea HOECHST AKTIENGESELLSCHAFT (DT) 1976-01-13 US disclosed