SCHEMBL9729006

SCHEMBL9729006

Fc1cc(Br)ccc1CNc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.54
ALOX12 P18054 4/20 0.52
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
MAOB P27338 4/20 0.47
ADRA2B P18089 1/20 0.46
ALDH1A1 P00352 2/20 0.46
HPGD P15428 2/20 0.46
CYP1A2 P05177 2/20 0.46
CYP2C9 P11712 2/20 0.46
CYP2C19 P33261 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
AKR1B1 P15121 1/20 0.46
NPC1 O15118 2/20 0.45
LMNA P02545 2/20 0.45
RAB9A P51151 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
TP53 P04637 1/20 0.45
MAPT P10636 1/20 0.44
ATM Q13315 1/20 0.44

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
SCHEMBL30339701 0.82 L3MBTL1 (0.52) MEN1KMT2AMAOBADRA2BALDH1A1
SCHEMBL30339822 0.79 ALOX12 (0.49) ALOX12MEN1KMT2AMAOBALDH1A1
SCHEMBL5180846 0.79 MEN1 (0.53) ALOX12MEN1KMT2AADRA2BALDH1A1
SCHEMBL5537895 0.78 KDM1A (0.46) KDM1AALOX12MEN1KMT2AMAOB
SCHEMBL11513654 0.77 KMT2A (0.72) ALOX12MEN1KMT2AMAOBALDH1A1
SCHEMBL26697159 0.77 RAB9A (0.62) ALOX12MEN1KMT2AMAOBALDH1A1
SCHEMBL24147765 0.76 ALOX12 (0.46) ALOX12MEN1KMT2AALDH1A1L3MBTL1
SCHEMBL149179 0.76 CA12 (0.64) ALOX12MEN1KMT2AALDH1A1HPGD
SCHEMBL5537898 0.76 KDM1A (0.50) KDM1AALOX12MEN1KMT2AALDH1A1
SCHEMBL16211512 0.75 PPARA (0.49) ALOX12MEN1KMT2AATM

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-5081241-A Diabetes AMERICAN HOME PRODUCTS CORPORATION (US) 1992-01-14 US disclosed