SCHEMBL9201486

SCHEMBL9201486

CCOC1=NCC(SCc2ccc(OC)cc2)C1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.39
LMNA P02545 1/20 0.39
MAPK1 P28482 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
APP P05067 1/20 0.38
IDO1 P14902 2/20 0.36
TP53 P04637 1/20 0.35
CRBN Q96SW2 1/20 0.35
PTGIR P43119 1/20 0.34
MEN1 O00255 1/20 0.34
NFKB1 P19838 1/20 0.34
NFKB2 Q00653 1/20 0.34
KMT2A Q03164 1/20 0.34
RELA Q04206 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL8932465 0.70 NPC1 (0.40) MAPTLMNAL3MBTL1NPC1RAB9A
SCHEMBL8932491 0.70 LMNA (0.39) MAPTLMNATP53PTGIRMEN1
SCHEMBL8307284 0.70 TDP1 (0.50) APPIDO1CRBNMEN1KMT2A
SCHEMBL8932476 0.70 APP (0.44) APPIDO1TP53CRBNSMN1; SMN2
SCHEMBL7833142 0.69 KMT2A (0.55) NPC1RAB9AAPPIDO1KMT2A
Hydrochloric Acid SCHEMBL10506096 0.69 IDO1 (0.40) APPIDO1KMT2A
SCHEMBL9202656 0.69 TSHR (0.46) MAPTLMNAAPPIDO1CRBN
SCHEMBL8932561 0.69 APP (0.36) MAPTLMNAMAPK1NPC1RAB9A
SCHEMBL9480021 0.68 REN (0.44) APPIDO1CRBNSMN1; SMN2
SCHEMBL8932409 0.68 APP (0.42) APPIDO1TP53CRBNSMN1; SMN2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0210883-B1 Derivatives of penem DAIICHI SEIYAKU CO (JP) 1995-02-01 EP disclosed
US-5079357-A Bactericides DAIICHI PHARMACEUTICAL CO., LTD. (JP) 1992-01-07 US disclosed
US-4962202-A PENICILLIN INTERMEDIATES DAIICHI SEIYAKU CO., LTD. (JP) 1990-10-09 US disclosed
EP-0210883-A2 Derivatives of penem DAIICHI SEIYAKU CO., LTD. (JP) 1987-02-04 EP disclosed