SCHEMBL5801183

SCHEMBL5801183

O=C(Cc1ccccc1)NC1CCCCNC1

nearest known ligand 0.72

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 3/20 0.72
ALDH1A1 P00352 3/20 0.62
KMT2A Q03164 3/20 0.62
MEN1 O00255 2/20 0.62
NPC1 O15118 3/20 0.54
RAB9A P51151 3/20 0.54
POLB P06746 2/20 0.52
SIGMAR1 Q99720 2/20 0.52
EPHX1 P07099 1/20 0.51
LMNA P02545 1/20 0.50
KDM1A O60341 1/20 0.50
HTT P42858 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
CTDSP1 Q9GZU7 1/20 0.50

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
SCHEMBL15055182 0.91 EPHX2 (0.62) EPHX2ALDH1A1KMT2AMEN1SIGMAR1
SCHEMBL34468338 0.91 EPHX2 (0.62) EPHX2ALDH1A1KMT2AMEN1SIGMAR1
SCHEMBL30718482 0.91 EPHX2 (0.62) EPHX2ALDH1A1KMT2AMEN1SIGMAR1
SCHEMBL2753089 0.86 EPHX2 (0.96) EPHX2ALDH1A1KMT2AMEN1NPC1
SCHEMBL28710668 0.85 EPHX2 (0.59) EPHX2ALDH1A1EPHX1KDM1A
SCHEMBL3397254 0.84 EPHX2 (1.00) EPHX2ALDH1A1KMT2AMEN1NPC1
Hydrochloric Acid SCHEMBL5047929 0.84 EPHX2 (0.93) EPHX2ALDH1A1KMT2AMEN1NPC1
SCHEMBL5051924 0.84 EPHX2 (1.00) EPHX2ALDH1A1KMT2AMEN1NPC1
SCHEMBL24342370 0.84 EPHX2 (0.65) EPHX2ALDH1A1KMT2AMEN1POLB
SCHEMBL34468288 0.83 ALDH1A1 (0.68) EPHX2ALDH1A1KMT2AMEN1SIGMAR1

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-1633348-A1 4- BROMO - 5 - (2- CHLORO - BENZOYLAMINO) - 1H - PYRAZOLE - 3 - CARBOXYLIC ACID AMIDE DERIVATIVES AND RELATED COMPOUNDS AS BRADYKININ B sb 1 /sb RECEPTOR ANTAGONISTS FOR THE TREATMENT OF INFLAMMATORY DISEASES Elan Pharmaceuticals, Inc. (US) 2006-03-15 EP disclosed
WO-2004098589-A1 4- BROMO - 5 - (2- CHLORO - BENZOYLAMINO) - 1H - PYRAZOLE - 3 - CARBOXYLIC ACID AMIDE DERIVATIVES AND RELATED COMPOUNDS AS BRADYKININ B1 RECEPTOR ANTAGONISTS FOR THE TREATMENT OF INFLAMMATORY DISEASES ELAN PHARMACEUTICALS, INC. (US) 2004-11-18 WO disclosed