SCHEMBL11234636

SCHEMBL11234636

NC(CCNc1cccc(F)c1)C(O)COc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.41
MAPT P10636 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
ATM Q13315 1/20 0.40
SLC6A4 P31645 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.37
MAOB P27338 1/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
PPARA Q07869 1/20 0.37
OPRM1 P35372 1/20 0.37
OPRD1 P41143 1/20 0.37
LMNA P02545 1/20 0.37
TRPV4 Q9HBA0 1/20 0.36
SCN4A P35499 2/20 0.36
ICMT O60725 1/20 0.36
PTGER2 P43116 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
SCHEMBL11237823 0.89 MAPT (0.42) HTTMAPTSMN1; SMN2MEN1KMT2A
Hydrochloric Acid SCHEMBL11236940 0.88 MAPT (0.41) HTTMAPTSMN1; SMN2MEN1KMT2A
Hydrochloric Acid SCHEMBL11230529 0.87 MAPT (0.50) HTTMAPTSMN1; SMN2MEN1KMT2A
SCHEMBL11238954 0.87 MAPT (0.47) HTTMAPTSMN1; SMN2LMNAICMT
Hydrochloric Acid SCHEMBL11235230 0.86 MAPT (0.46) HTTMAPTSMN1; SMN2LMNAICMT
SCHEMBL11246090 0.83 MAPT (0.50) MAPTSMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL11230236 0.82 ALDH1A1 (0.50) MAPTSMN1; SMN2MEN1KMT2AALDH1A1
Hydrochloric Acid SCHEMBL11247363 0.81 ADRB1 (0.50) MAPTSMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL11233872 0.80 MAPT (0.45) HTTMAPTSMN1; SMN2MEN1KMT2A
SCHEMBL11237785 0.80 SCN4A (0.46) HTTMAPTSMN1; SMN2MEN1KMT2A

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
US-4356322-A ADRENERGIC STIMULANTS; CARDIOTONIC AGENTS VEB ARZNEIMITTELWERK DRESDEN (DD) 1982-10-26 US claimed
US-4356322-A ADRENERGIC STIMULANTS; CARDIOTONIC AGENTS VEB ARZNEIMITTELWERK DRESDEN (DD) 1982-10-26 US disclosed