SCHEMBL7678044

SCHEMBL7678044

Cc1nc(Nc2ccc(C(C)C)cc2Br)nc(C(=O)O)c1C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
P2RX4 Q99571 2/20 0.36
P2RX7 Q99572 2/20 0.36
MAPT P10636 2/20 0.35
ALDH1A1 P00352 1/20 0.35
SORT1 Q99523 1/20 0.34
PFKFB3 Q16875 1/20 0.34
CRHR1 P34998 1/20 0.34
IGF1R P08069 1/20 0.33
EIF4A3 P38919 1/20 0.33
PTGFR P43088 1/20 0.33
DHODH Q02127 1/20 0.33
LMNA P02545 1/20 0.33
GAA P10253 1/20 0.33
HPGD P15428 1/20 0.33
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
RXRA P19793 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
SCHEMBL7687220 0.81 CRHR1 (0.34) SORT1PFKFB3CRHR1EIF4A3DHODH
SCHEMBL7687217 0.79 CRHR1 (0.33) MEN1KMT2ASORT1PFKFB3CRHR1
SCHEMBL7678043 0.76 MAPT (0.59) MEN1KMT2AMAPTALDH1A1CRHR1
SCHEMBL14347187 0.73 RXFP1 (0.39) MEN1KMT2AMAPTALDH1A1CRHR1
SCHEMBL7676334 0.73 MAPT (0.44) MEN1KMT2AP2RX4P2RX7MAPT
SCHEMBL5437266 0.71 NFKB1 (0.35) MAPTALDH1A1CRHR1IGF1RSMN1; SMN2
SCHEMBL7680556 0.69 MAPT (0.43) KMT2AMAPTALDH1A1CRHR1IGF1R
SCHEMBL7687760 0.69 NPC1 (0.39) MEN1KMT2AP2RX4P2RX7MAPT
SCHEMBL7683030 0.68 ALDH1A1 (0.41) MAPTALDH1A1CRHR1LMNA
SCHEMBL7682784 0.67 ALDH1A1 (0.41) MEN1KMT2AMAPTALDH1A1CRHR1

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-6342503-B1 ANTIDEPRESSANTS, EATING DISORDERS DUPONT PHARMACEUTICALS COMPANY 2002-01-29 US disclosed