SCHEMBL11098516

SCHEMBL11098516

Cc1ccccc1-n1ncc(N)c(Br)c1=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 2/20 0.48
MAPK14 Q16539 1/20 0.47
ALDH1A1 P00352 6/20 0.46
LMNA P02545 5/20 0.46
KDM4E B2RXH2 1/20 0.46
TP53 P04637 1/20 0.46
RAB9A P51151 6/20 0.43
SMN1; SMN2 Q16637 5/20 0.43
NPC1 O15118 5/20 0.43
HTT P42858 4/20 0.43
MAPT P10636 3/20 0.43
NPSR1 Q6W5P4 2/20 0.43
RXFP1 Q9HBX9 2/20 0.43
PAX8 Q06710 1/20 0.43
NPBWR1 P48145 1/20 0.42
KMT2A Q03164 3/20 0.41
XBP1 P17861 1/20 0.41
GRM5 P41594 1/20 0.41
GRM1 Q13255 1/20 0.41
POLB P06746 2/20 0.40

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
SCHEMBL10764465 0.82 NPBWR1 (0.47) HIF1AMAPK14ALDH1A1LMNAKDM4E
SCHEMBL134480 0.78 RAB9A (0.70) MAPK14ALDH1A1LMNARAB9ASMN1; SMN2
SCHEMBL3251762 0.77 MAPK14 (0.57) HIF1AMAPK14ALDH1A1LMNAKDM4E
SCHEMBL17619922 0.77 MAPK14 (0.50) HIF1AMAPK14ALDH1A1LMNAKDM4E
Hydrochloric Acid SCHEMBL5402695 0.76 MAPK14 (0.56) HIF1AMAPK14ALDH1A1LMNAKDM4E
SCHEMBL10769084 0.75 RAB9A (0.71) HIF1AALDH1A1LMNARAB9ASMN1; SMN2
SCHEMBL1815226 0.74 MAPK14 (0.55) HIF1AMAPK14ALDH1A1LMNAKDM4E
SCHEMBL10672542 0.74 RAB9A (0.58) ALDH1A1LMNAKDM4ERAB9ASMN1; SMN2
SCHEMBL3039419 0.72 RAB9A (0.61) HIF1AALDH1A1LMNAKDM4ETP53
SCHEMBL22552613 0.72 NPC1 (0.58) HIF1AMAPK14ALDH1A1LMNAKDM4E

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
EP-0027965-B1 SUBSTITUTED UREAS, THEIR PREPARATION AND USE AS HERBICIDES, AND COMPOSITIONS THEREFOR BASF Aktiengesellschaft (DE) 1984-06-13 EP disclosed