SCHEMBL9110935

SCHEMBL9110935

CCOC(=O)c1nc([C@H](N)Cc2c[nH]c3ccccc23)sc1C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.48
TACR1 P25103 2/20 0.47
KDM4E B2RXH2 4/20 0.46
MAPT P10636 4/20 0.46
MEN1 O00255 1/20 0.46
LMNA P02545 1/20 0.46
MPO P05164 1/20 0.46
TSHR P16473 1/20 0.46
BLM P54132 1/20 0.46
PMP22 Q01453 1/20 0.46
KMT2A Q03164 1/20 0.46
HIF1A Q16665 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
HTR2A P28223 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45

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
SCHEMBL9112564 0.82 CTSL (0.54) PKMTACR1KDM4EMAPTMEN1
SCHEMBL9234332 0.81 PKM (0.49) PKMTACR1KDM4EMAPTMEN1
SCHEMBL9112282 0.81 PKM (0.49) PKMTACR1KDM4EMAPTMEN1
SCHEMBL9115060 0.80 SSTR1 (0.57) TACR1MAPTLMNA
SCHEMBL9110945 0.80 KDM4E (0.46) PKMTACR1KDM4EMAPTMEN1
SCHEMBL23551129 0.75 MEN1 (0.55) PKMKDM4EMAPTMEN1LMNA
SCHEMBL133958 0.74 TACR1 (0.72) PKMTACR1KDM4EMAPTMEN1
SCHEMBL29632750 0.74 TACR1 (0.72) PKMTACR1KDM4EMAPTMEN1
SCHEMBL839065 0.74 TACR1 (0.72) PKMTACR1KDM4EMAPTMEN1
SCHEMBL840121 0.74 TACR1 (0.72) PKMTACR1KDM4EMAPTMEN1

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-1995008550-A1 ENDOTHELIN ANTAGONISTS ABBOTT LABORATORIES (US) 1995-03-30 WO disclosed