SCHEMBL3846025

SCHEMBL3846025

OCCNc1ncc(Br)cc1Cl

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.45
LMNA P02545 2/20 0.45
PLAU P00749 1/20 0.40
MEN1 O00255 4/20 0.37
KMT2A Q03164 4/20 0.37
PKM P14618 2/20 0.37
KDM4E B2RXH2 1/20 0.37
MAPK1 P28482 1/20 0.37
HTT P42858 3/20 0.37
POLB P06746 2/20 0.37
TP53 P04637 1/20 0.36
ALDH1A1 P00352 2/20 0.36
JAK2 O60674 1/20 0.36
HSP90AA1 P07900 1/20 0.36
MC4R P32245 1/20 0.36
RAB9A P51151 1/20 0.36
CCR6 P51684 1/20 0.36
CACNA1B Q00975 1/20 0.36
APBA1 Q02410 1/20 0.36
TLR9 Q9NR96 1/20 0.36

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
SCHEMBL29477048 0.79 MAPT (0.45) MAPTLMNAMEN1KMT2APKM
SCHEMBL3848724 0.79 MAPT (0.45) MAPTLMNAMEN1KMT2APKM
SCHEMBL3383977 0.79 CYP2D6 (0.42) MAPTLMNAMEN1KMT2APKM
SCHEMBL7885980 0.79 MAPT (0.45) MAPTLMNAMEN1KMT2APKM
SCHEMBL1728982 0.76 LMNA (0.35) MAPTLMNAMEN1KMT2APKM
SCHEMBL29476959 0.76 MAPT (0.42) MAPTLMNAPLAUMEN1KMT2A
SCHEMBL2421299 0.76 ALDH1A1 (0.41) LMNAPLAUMEN1KMT2APKM
SCHEMBL1726018 0.76 CCNA2 (0.42) MAPTKDM4EMAPK1TP53ALDH1A1
SCHEMBL29477047 0.76 CCNA2 (0.48) MAPTLMNAMEN1KMT2APKM
SCHEMBL25721831 0.74 HTT (0.47) MAPTLMNAMEN1KMT2AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2048142-A2 Nitrogen-containing condensed cyclic compound having a pyrazolyl group as a substituent group and pharmaceutical composition thereof Eisai R&D Management Co., Ltd. (JP) 2009-04-15 EP disclosed
EP-2048142-A2 Nitrogen-containing condensed cyclic compound having a pyrazolyl group as a substituent group and pharmaceutical composition thereof Eisai R&D Management Co., Ltd. (JP) 2009-04-15 EP disclosed
EP-1382603-B1 NITROGENOUS FUSED-RING COMPOUND HAVING PYRAZOLYL GROUP AS SUBSTITUENT AND MEDICINAL COMPOSITION THEREOF EISAI R&D MAN CO LTD (JP) 2008-07-23 EP disclosed
US-7074801-B1 Nitrogen-containing condensed cyclic compound having a pyrazolyl group as a substituent group and pharmaceutical composition thereof EISAI CO., LTD. (JP) 2006-07-11 US disclosed
EP-1382603-A1 NITROGENOUS FUSED−RING COMPOUND HAVING PYRAZOLYL GROUP AS SUBSTITUENT AND MEDICINAL COMPOSITION THEREOF Eisai Co., Ltd. (JP) 2004-01-21 EP disclosed