SCHEMBL20204952

SCHEMBL20204952

CSc1ccc(C(=O)C(C)(C)N2CCN(C(C)(C)C(=O)c3ccc(SC)cc3)CC2)cc1

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.79
TSHR P16473 3/20 0.79
SMN1; SMN2 Q16637 3/20 0.79
MAPK1 P28482 1/20 0.79
PLK1 P53350 1/20 0.46
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
HPGD P15428 4/20 0.44
HSD17B10 Q99714 3/20 0.44
EPHX2 P34913 1/20 0.41
NR1H4 Q96RI1 1/20 0.41
ATM Q13315 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
ALOX15 P16050 1/20 0.41
NFKB1 P19838 1/20 0.41
PDE4A P27815 1/20 0.41
BLM P54132 1/20 0.41
PMP22 Q01453 1/20 0.41

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
SCHEMBL9681607 0.94 ALDH1A1 (0.71) ALDH1A1TSHRSMN1; SMN2MAPK1PLK1
SCHEMBL9679674 0.93 ALDH1A1 (0.75) ALDH1A1TSHRSMN1; SMN2MAPK1PLK1
SCHEMBL725932 0.92 ALDH1A1 (0.73) ALDH1A1TSHRSMN1; SMN2MAPK1PLK1
SCHEMBL725901 0.92 ALDH1A1 (0.73) ALDH1A1TSHRSMN1; SMN2MAPK1PLK1
SCHEMBL2704635 0.89 ALDH1A1 (0.69) ALDH1A1TSHRSMN1; SMN2MAPK1PLK1
SCHEMBL10890719 0.89 ALDH1A1 (0.69) ALDH1A1TSHRSMN1; SMN2MAPK1PLK1
SCHEMBL14246539 0.89 ALDH1A1 (1.00) ALDH1A1TSHRSMN1; SMN2MAPK1PLK1
SCHEMBL27554 0.89 ALDH1A1 (1.00) ALDH1A1TSHRSMN1; SMN2MAPK1PLK1
Hydrochloric Acid SCHEMBL727298 0.88 ALDH1A1 (0.97) ALDH1A1TSHRSMN1; SMN2MAPK1PLK1
SCHEMBL21824684 0.86 ALDH1A1 (0.94) ALDH1A1TSHRSMN1; SMN2MAPK1PLK1

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-10626220-B2 Precursor for polyimide and use thereof ETERNAL MATERIALS CO., LTD. (TW) 2020-04-21 US disclosed
US-20180148544-A1 PRECURSOR FOR POLYIMIDE AND USE THEREOF ETERNAL MATERIAL CO., LTD. (TW) 2018-05-31 US disclosed