SCHEMBL19199865

SCHEMBL19199865

Nc1cc(-c2ccccc2)ccc1CS

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.52
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
MAPT P10636 2/20 0.52
KDM4E B2RXH2 1/20 0.52
USP2 O75604 1/20 0.52
ALDH1A1 P00352 1/20 0.52
LMNA P02545 1/20 0.52
HSP90AA1 P07900 1/20 0.52
GAA P10253 1/20 0.52
HPGD P15428 1/20 0.52
ALOX15 P16050 1/20 0.52
ALOX12 P18054 1/20 0.52
HTT P42858 1/20 0.52
DCLRE1B Q9H816 3/20 0.51
DCLRE1A Q6PJP8 1/20 0.51
MAOA P21397 1/20 0.43
TDP1 Q9NUW8 2/20 0.43
TAAR1 Q96RJ0 2/20 0.43
CYP3A4 P08684 1/20 0.43

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
SCHEMBL4888958 0.82 MAPT (0.53) HSD17B10MEN1KMT2AMAPTKDM4E
SCHEMBL31570069 0.82 MAPT (0.53) HSD17B10MEN1KMT2AMAPTKDM4E
SCHEMBL3785609 0.82 HSD17B10 (0.53) HSD17B10MEN1KMT2AMAPTKDM4E
SCHEMBL3793580 0.80 HSD17B10 (0.57) HSD17B10MEN1KMT2AMAPTKDM4E
SCHEMBL27868391 0.80 MAPT (0.52) HSD17B10MEN1KMT2AMAPTKDM4E
SCHEMBL3174141 0.76 DCLRE1B (0.51) MAPTKDM4ELMNAGAAHPGD
SCHEMBL19200643 0.76 DCLRE1B (0.51) HSD17B10MEN1KMT2AMAPTKDM4E
SCHEMBL27932761 0.76 MAPT (0.47) HSD17B10MEN1KMT2AMAPTKDM4E
SCHEMBL27775990 0.76 LMNA (0.53) HSD17B10MEN1KMT2AMAPTKDM4E
SCHEMBL22000119 0.74 IKBKB (0.53) HSD17B10MEN1KMT2AMAPTKDM4E

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-2017132484-A1 PHOTO-CLEAVABLE PRIMER COMPOSITIONS AND METHODS OF USE ACatechol, Inc. (US) 2017-08-03 WO disclosed