SCHEMBL4369064

SCHEMBL4369064

COc1cc(C(CC(=O)N2CCCCC2)C2CC=CS2)ccc1OCc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
APP P05067 8/20 0.50
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
F2 P00734 1/20 0.41
F10 P00742 1/20 0.41
PRSS1 P07477 1/20 0.41
PRSS2 P07478 1/20 0.41
F7 P08709 1/20 0.41
F3 P13726 1/20 0.41
PRSS3 P35030 1/20 0.41
GAA P10253 2/20 0.41
CSF1R P07333 1/20 0.40
POLB P06746 1/20 0.40

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
SCHEMBL4369067 0.84 APP (0.53) APPNPC1RAB9AMEN1KMT2A
SCHEMBL4372447 0.83 MEN1 (0.48) APPNPC1RAB9AMEN1KMT2A
SCHEMBL2994487 0.80 APP (0.57) APPNPC1RAB9AMEN1KMT2A
SCHEMBL4371697 0.78 MEN1 (0.43) APPNPC1RAB9AMEN1KMT2A
SCHEMBL4366814 0.76 APP (0.39) APPNPC1RAB9AMEN1KMT2A
SCHEMBL3001856 0.75 TNF (0.52) APPNPC1RAB9AMEN1KMT2A
SCHEMBL4372450 0.69 MEN1 (0.48) APPNPC1RAB9AMEN1KMT2A
SCHEMBL4379009 0.68 SMN1; SMN2 (0.38) MEN1KMT2AKDM4EALDH1A1SMN1; SMN2
SCHEMBL7097988 0.68 NPC1 (0.52) APPNPC1RAB9AMEN1KMT2A
SCHEMBL12738664 0.67 NPC1 (0.55) APPNPC1RAB9AMEN1KMT2A

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
EP-2083011-B1 PYRROLINE DERIVATIVES AGAINST CELL RELEASING TUMOR NECROSIS FACTOR, PREPARATION METHODS AND USES THEREOF TIANJIN HEMAY BIO TECH CO LTD (CN) 2014-06-04 EP disclosed
EP-2083011-A1 PYRROLINE DERIVATIVES AGAINST CELL RELEASING TUMOR NECROSIS FACTOR, PREPARATION METHODS AND USES THEREOF Tian Jin Hemay Bio-Tech Co., Ltd. (CN) 2009-07-29 EP disclosed