SCHEMBL11623934

SCHEMBL11623934

Nc1c(C(=O)Cl)cc(Br)cc1C(F)(F)F

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EPRS1 P07814 1/20 0.35
KDM1A O60341 2/20 0.35
NOTUM Q6P988 2/20 0.35
CFTR P13569 2/20 0.34
KDM4E B2RXH2 1/20 0.33
GLA P06280 1/20 0.33
ADRB2 P07550 4/20 0.33
TMPRSS4 Q9NRS4 2/20 0.33
PLAU P00749 1/20 0.33
CES2 O00748 2/20 0.33
RORB Q92753 1/20 0.32
TAS2R14 Q9NYV8 1/20 0.32
LMNA P02545 1/20 0.32
GAA P10253 1/20 0.32

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
SCHEMBL30333121 0.84 KDM4E (0.46) EPRS1KDM1ANOTUMCFTRKDM4E
SCHEMBL10215342 0.84 DGAT1 (0.41) EPRS1KDM1ANOTUMCFTRKDM4E
SCHEMBL10215345 0.84 KDM4E (0.46) EPRS1KDM1ANOTUMCFTRKDM4E
Hydrochloric Acid SCHEMBL11623942 0.83 KDM4E (0.44) EPRS1NOTUMCFTRKDM4EGLA
SCHEMBL11626984 0.81 CYP3A4 (0.38) CFTRKDM4EGLATMPRSS4CES2
SCHEMBL14976700 0.78 NOTUM (0.35) EPRS1NOTUMCFTRKDM4EGLA
SCHEMBL31355652 0.77 TMPRSS4 (0.35) CFTRTMPRSS4CES2TAS2R14LMNA
SCHEMBL11624384 0.76 AKR1C4 (0.44) KDM4EGLAPLAUCES2LMNA
SCHEMBL3143470 0.75 CES2 (0.46) EPRS1KDM1ANOTUMKDM4EGLA
SCHEMBL11626726 0.74 POLB (0.39) KDM4EGLAPLAUGAA

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
US-4093734-A ANTIULCER AGENTS, ANTIEMETICS, ANTICONVULSANTS BOEHRINGER INGELHEIM GMBH (DT) 1978-06-06 US disclosed