SCHEMBL20627293

SCHEMBL20627293

O=C(Nc1ccccc1)Oc1ccccc1Br

nearest known ligand 0.63

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.63
NPC1 O15118 2/20 0.63
KMT2A Q03164 4/20 0.58
GAA P10253 3/20 0.58
KDM4E B2RXH2 1/20 0.58
BLM P54132 1/20 0.58
MAPT P10636 2/20 0.55
USP2 O75604 1/20 0.55
HSP90AA1 P07900 1/20 0.54
ALDH1A1 P00352 3/20 0.51
HTT P42858 2/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
FAAH O00519 1/20 0.51
ATM Q13315 1/20 0.50
MEN1 O00255 1/20 0.50
LMNA P02545 1/20 0.50
RAD51 Q06609 1/20 0.46
PTGS1 P23219 1/20 0.46
PTGS2 P35354 1/20 0.46

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
SCHEMBL24168968 0.81 ATM (0.54) RAB9ANPC1KMT2AGAAKDM4E
SCHEMBL31527768 0.79 ATM (0.77) RAB9ANPC1KMT2AGAAKDM4E
SCHEMBL2141997 0.79 GAA (0.58) RAB9AKMT2AGAAKDM4EBLM
SCHEMBL8048675 0.79 NOTUM (0.59) RAB9AKMT2AGAAKDM4EBLM
SCHEMBL24282083 0.79 KDM4E (0.59) KMT2AGAAKDM4EBLMMAPT
SCHEMBL12655260 0.79 GAA (0.58) RAB9AKMT2AGAAKDM4EBLM
SCHEMBL1835068 0.77 GAA (0.56) RAB9AKMT2AGAAKDM4EBLM
SCHEMBL4968284 0.77 GAA (0.56) RAB9AKMT2AGAAKDM4EBLM
SCHEMBL57100 0.77 KMT2A (0.44) RAB9ANPC1KMT2AKDM4EBLM
SCHEMBL25271584 0.76 RAB9A (0.60) RAB9AKMT2AGAAKDM4EBLM

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-3070085-B1 FLAP MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2019-01-09 EP disclosed
CN-105593228-B Loop coil fused lactams compound for organic electroluminescence device 默克专利有限公司 2018-11-02 CN disclosed