SCHEMBL7808144

SCHEMBL7808144

CC(=O)Nc1c(C)cc(OCc2ccccc2)cc1C

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.64
PTPRB P23467 1/20 0.64
HSD17B10 Q99714 1/20 0.64
BRD4 O60885 3/20 0.55
MEN1 O00255 4/20 0.53
KMT2A Q03164 4/20 0.53
MRGPRX4 Q96LA9 1/20 0.52
MAOB P27338 3/20 0.51
NPC1 O15118 3/20 0.51
RAB9A P51151 3/20 0.51
SMN1; SMN2 Q16637 2/20 0.50
LMNA P02545 1/20 0.50
CASP3 P42574 1/20 0.49
SENP8 Q96LD8 1/20 0.49
SENP7 Q9BQF6 1/20 0.49
SENP6 Q9GZR1 1/20 0.49
GPR55 Q9Y2T6 1/20 0.49
ALDH1A1 P00352 2/20 0.48
KDM4E B2RXH2 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48

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
SCHEMBL19857113 0.91 MEN1 (0.55) HPGDPTPRBHSD17B10MEN1KMT2A
SCHEMBL9808046 0.85 MRGPRX4 (0.52) HPGDPTPRBHSD17B10MEN1KMT2A
SCHEMBL11829865 0.83 BRD4 (0.59) BRD4MEN1KMT2AMAOBNPC1
Hydrochloric Acid SCHEMBL10735781 0.80 MRGPRX4 (0.45) HPGDPTPRBHSD17B10MEN1KMT2A
SCHEMBL14228548 0.79 BRD4 (0.55) HPGDBRD4MEN1KMT2AMAOB
SCHEMBL10905417 0.79 MRGPRX4 (0.44) HPGDPTPRBHSD17B10MEN1KMT2A
SCHEMBL10903897 0.79 L3MBTL1 (0.55) MEN1KMT2AMRGPRX4MAOBNPC1
Acetic Acid SCHEMBL402815 0.79 MEN1 (0.55) MEN1KMT2AMRGPRX4MAOBLMNA
Hydrochloric Acid SCHEMBL10907709 0.79 MRGPRX4 (0.44) HPGDPTPRBHSD17B10MEN1KMT2A
SCHEMBL27240095 0.78 MEN1 (0.53) MEN1KMT2AMRGPRX4MAOBNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0727421-B1 Agents for improving sleep JANSSEN PHARMACEUTICA NV (BE) 2001-10-24 EP disclosed
EP-0727421-A1 Agents for improving sleep JANSSEN PHARMACEUTICA N.V. (BE) 1996-08-21 EP disclosed
EP-0285219-A2 Method of improving sleep JANSSEN PHARMACEUTICA N.V. (BE) 1988-10-05 EP disclosed