SCHEMBL21862006

SCHEMBL21862006

O=C(Nc1ccc(-c2ccc(NC(=O)NC3CCCCC3)c(O)c2)cc1O)NC1CCCCC1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.62
SMN1; SMN2 Q16637 3/20 0.62
MEN1 O00255 1/20 0.62
HTT P42858 1/20 0.62
RAB9A P51151 5/20 0.59
NPC1 O15118 3/20 0.59
POLB P06746 2/20 0.59
EPHX2 P34913 4/20 0.57
KDM4E B2RXH2 1/20 0.57
ALDH1A1 P00352 1/20 0.57
LMNA P02545 1/20 0.57
MAPT P10636 1/20 0.57
CA12 O43570 1/20 0.56
CA1 P00915 1/20 0.56
CA9 Q16790 1/20 0.56
EPHX1 P07099 3/20 0.55
TSHR P16473 1/20 0.53
TP53 P04637 1/20 0.52
PKM P14618 1/20 0.51
GAA P10253 1/20 0.51

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
SCHEMBL4346187 0.88 EPHX1 (0.63) KMT2ASMN1; SMN2MEN1HTTRAB9A
SCHEMBL6567595 0.85 KMT2A (0.68) KMT2ASMN1; SMN2MEN1HTTRAB9A
SCHEMBL2835880 0.81 EPHX1 (0.66) KMT2ASMN1; SMN2MEN1HTTRAB9A
SCHEMBL6439308 0.77 KMT2A (1.00) KMT2ASMN1; SMN2MEN1HTTRAB9A
SCHEMBL21750960 0.77 RAB9A (0.74) KMT2ASMN1; SMN2MEN1HTTRAB9A
SCHEMBL6567247 0.77 EPHX1 (0.68) KMT2ASMN1; SMN2MEN1HTTRAB9A
SCHEMBL4354599 0.77 RAB9A (0.70) KMT2ASMN1; SMN2MEN1HTTRAB9A
SCHEMBL21750908 0.75 RAB9A (0.76) KMT2ASMN1; SMN2MEN1HTTRAB9A
SCHEMBL27264917 0.75 RAB9A (1.00) KMT2ASMN1; SMN2MEN1HTTRAB9A
SCHEMBL27267057 0.75 RAB9A (1.00) KMT2ASMN1; SMN2MEN1HTTRAB9A

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
WO-2020066244-A1 PHOTOSENSITIVE RESIN COMPOSITION, CURED FILM, LAYERED PRODUCT, PRODUCTION METHOD FOR CURED FILM, SEMICONDUCTOR DEVICE, AND THERMAL BASE GENERATOR 富士フイルム株式会社 2020-04-02 WO disclosed