SCHEMBL9703005

SCHEMBL9703005

COc1ccc2cc(N(C(C)=O)c3ccc(O)cc3)ccc2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
TSHR P16473 2/20 0.46
KDM4E B2RXH2 2/20 0.45
CYP3A4 P08684 2/20 0.45
ALDH1A1 P00352 1/20 0.45
HPGD P15428 1/20 0.45
MAPK1 P28482 1/20 0.45
POLB P06746 1/20 0.44
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
MAOA P21397 2/20 0.43
CYP1A2 P05177 2/20 0.43
LMNA P02545 1/20 0.43
TP53 P04637 1/20 0.43
MAPT P10636 1/20 0.43
SLC6A2 P23975 1/20 0.43
SLC6A3 Q01959 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
ESR1 P03372 1/20 0.43

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
SCHEMBL9704866 0.85 ESR1 (0.49) MEN1KMT2ATSHRKDM4ECYP3A4
SCHEMBL28332018 0.80 POLB (0.55) MEN1KMT2ATSHRALDH1A1POLB
SCHEMBL7153902 0.78 ESR1 (0.47) MEN1KMT2ATSHRKDM4ECYP3A4
SCHEMBL9702074 0.78 CYP1A1 (0.46) MEN1KMT2AKDM4EMAPK1NPC1
SCHEMBL31393785 0.74 KMT2A (0.66) MEN1KMT2ATSHRKDM4EALDH1A1
SCHEMBL1176872 0.73 ESR1 (0.49) MEN1KMT2ATSHRKDM4EALDH1A1
SCHEMBL7985806 0.73 MEN1 (0.65) MEN1KMT2ATSHRNPC1RAB9A
SCHEMBL8814667 0.73 MTNR1A (0.53) MEN1KMT2ATSHRCYP3A4ALDH1A1
SCHEMBL27515960 0.72 ESR2 (0.52) MEN1KMT2AALDH1A1NPC1RAB9A
SCHEMBL31554258 0.72 ABL1 (0.62) MEN1KMT2AKDM4ENPC1RAB9A

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-0221677-B1 P-AMINOPHENOLS, DERIVATIVES THEREOF AND USE FOR MANUFACTURE OF A MEDICAMENT E.R. Squibb & Sons, Inc. (US) 1992-09-09 EP disclosed
US-4910208-A Skin disorders, antiinflammatory agent E. R. SQUIBB & SONS, INC. (US) 1990-03-20 US disclosed
US-4814454-A ANTIALLERGENS, ANTIINFLAMMATORY E. R. SQUIBB & SONS, INC. (US) 1989-03-21 US disclosed
EP-0221677-A2 p-Aminophenols, derivatives thereof and use for manufacture of a medicament E.R. Squibb & Sons, Inc. (US) 1987-05-13 EP disclosed