SCHEMBL9754847

SCHEMBL9754847

O=C(O)Oc1c(CBr)cccc1-c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.44
FOLH1 Q04609 1/20 0.42
PDCD1 Q15116 1/20 0.41
CD274 Q9NZQ7 1/20 0.41
BACE1 P56817 2/20 0.41
TDP1 Q9NUW8 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
PTGER1 P34995 2/20 0.39
PTGER4 P35408 2/20 0.39
PTGER3 P43115 2/20 0.39
PTGER2 P43116 2/20 0.39
PTPN1 P18031 1/20 0.39
GSK3B P49841 1/20 0.39
DPP4 P27487 1/20 0.38
HNF4A P41235 1/20 0.38
FFAR4 Q5NUL3 2/20 0.37
CHRNB2 P17787 1/20 0.37
CHRNA4 P43681 1/20 0.37
FFAR1 O14842 1/20 0.37
SCN1A P35498 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
SCHEMBL8468956 0.82 MTNR1A (0.42) KMT2AFOLH1PDCD1CD274BACE1
SCHEMBL4659888 0.81 FOLH1 (0.61) KMT2AFOLH1PDCD1CD274BACE1
SCHEMBL20957481 0.78 PDCD1 (0.44) KMT2APDCD1CD274DPP4MAPK1
SCHEMBL7562147 0.78 PDCD1 (0.45) KMT2APDCD1CD274HDAC1HDAC6
SCHEMBL18143536 0.75 HNF4A (0.58) KMT2ABACE1TDP1L3MBTL1PTPN1
SCHEMBL180120 0.75 SMN1; SMN2 (0.47) KMT2APDCD1CD274BACE1TDP1
SCHEMBL5033866 0.75 FOLH1 (0.66) KMT2AFOLH1PDCD1CD274PTGER1
SCHEMBL26185970 0.74 PTGER4 (0.44) TDP1L3MBTL1PTGER1PTGER4PTGER3
SCHEMBL7557382 0.73 DPP4 (0.53) KMT2AFOLH1PDCD1CD274BACE1
SCHEMBL31163822 0.72 DPP4 (0.60) KMT2AFOLH1PDCD1CD274BACE1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1991013063-A1 NEW BENZIMIDAZOLE DERIVATIVES, METHOD FOR PREPARING THEM AND THEIR PHARMACEUTICAL USE SCHERING AKTIENGESELLSCHAFT BERLIN UND BERGKAMEN (DE) 1991-09-05 WO disclosed