SCHEMBL26419941

SCHEMBL26419941

c1ccc(C2Nc3cc4c(cc3S2)NC(c2ccccc2)S4)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 3/20 0.42
ALDH1A1 P00352 3/20 0.42
HPGD P15428 3/20 0.42
TSHR P16473 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
NPC1 O15118 3/20 0.38
RAB9A P51151 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
NFKB1 P19838 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
IDO1 P14902 2/20 0.35
NOS2 P35228 1/20 0.34
KDM4E B2RXH2 2/20 0.33

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
SCHEMBL22506863 0.83 NPC1 (0.41) HSD17B10ALDH1A1HPGDTSHRCYP1A2
SCHEMBL434104 0.83 IDO1 (0.53) HSD17B10ALDH1A1HPGDTSHRCYP1A2
SCHEMBL22506858 0.82 ALDH1A1 (0.39) HSD17B10ALDH1A1HPGDTSHRCYP1A2
SCHEMBL18890738 0.80 HSD17B10 (0.40) HSD17B10ALDH1A1HPGDTSHRCYP1A2
SCHEMBL16453806 0.79 AHR (0.47) HSD17B10ALDH1A1HPGDMEN1KMT2A
SCHEMBL16453740 0.76 CDK4 (0.39) HSD17B10ALDH1A1HPGDNPC1RAB9A
SCHEMBL24552413 0.75 AHR (0.44) ALDH1A1TSHRCYP1A2CYP3A4CYP2D6
SCHEMBL24553467 0.74 AHR (0.47) IDO1CA2MECP2MBD2
SCHEMBL19369688 0.69 IDO1 (0.52) HSD17B10ALDH1A1HPGDTSHRCYP1A2
SCHEMBL11756212 0.69 IDO1 (0.47) HSD17B10ALDH1A1HPGDTSHRCYP1A2

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-20230130269-A1 LIQUID CRYSTAL COMPOSITION, LIQUID CRYSTAL CURED LAYER, OPTICAL FILM, POLARIZING PLATE, AND IMAGE DISPLAY DEVICE FUJIFILM CORPORATION (JP) 2023-04-27 US disclosed
US-20230130269-A1 LIQUID CRYSTAL COMPOSITION, LIQUID CRYSTAL CURED LAYER, OPTICAL FILM, POLARIZING PLATE, AND IMAGE DISPLAY DEVICE FUJIFILM CORPORATION (JP) 2023-04-27 US disclosed