SCHEMBL20094577

SCHEMBL20094577

CCCc1c(C)[nH]c2ccc(C)cc12

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 3/20 0.62
TSHR P16473 1/20 0.62
SMN1; SMN2 Q16637 5/20 0.61
MAPT P10636 6/20 0.59
ALDH1A1 P00352 4/20 0.59
MEN1 O00255 3/20 0.59
KMT2A Q03164 3/20 0.59
GAA P10253 3/20 0.59
KDM4E B2RXH2 2/20 0.59
HTT P42858 4/20 0.54
HTR6 P50406 4/20 0.51
HTR1D P28221 3/20 0.51
HTR7 P34969 3/20 0.51
TDP1 Q9NUW8 2/20 0.51
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2D6 P10635 1/20 0.51
CYP2C9 P11712 1/20 0.51
MAPK1 P28482 1/20 0.51
CYP2C19 P33261 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
SCHEMBL24201870 0.85 HSD17B10 (0.75) HSD17B10TSHRSMN1; SMN2MAPTALDH1A1
SCHEMBL7886752 0.84 HTR1D (0.71) HSD17B10TSHRSMN1; SMN2MAPTALDH1A1
SCHEMBL4805847 0.84 MEN1 (0.63) HSD17B10TSHRSMN1; SMN2MAPTALDH1A1
SCHEMBL18509436 0.83 POLB (0.66) HSD17B10TSHRSMN1; SMN2MAPTALDH1A1
SCHEMBL21374161 0.83 HTR7 (0.74) HSD17B10TSHRSMN1; SMN2MAPTALDH1A1
SCHEMBL17357058 0.83 HSD17B10 (0.59) HSD17B10TSHRSMN1; SMN2MAPTALDH1A1
SCHEMBL18404931 0.83 HSD17B10 (0.59) HSD17B10TSHRSMN1; SMN2MAPTALDH1A1
SCHEMBL6235393 0.81 HTR6 (0.73) HSD17B10SMN1; SMN2MAPTALDH1A1MEN1
SCHEMBL25082463 0.81 HSD17B10 (0.56) HSD17B10SMN1; SMN2MAPTALDH1A1MEN1
SCHEMBL26227993 0.81 HSD17B10 (0.56) HSD17B10TSHRSMN1; SMN2MAPTALDH1A1

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-2018073828-A1 DNA PRIMASE AND GYRASE INHIBITORS B. G. NEGEV TECHNOLOGIES AND APPLICATIONS LTD., AT BEN-GURION UNIVERSITY (IL) 2018-04-26 WO disclosed