SCHEMBL20124839

SCHEMBL20124839

Cc1ccc(C(=O)NCCc2ccco2)c(F)c1

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.56
NPC1 O15118 6/20 0.56
L3MBTL1 Q9Y468 1/20 0.53
POLB P06746 6/20 0.52
MAPT P10636 2/20 0.52
HPGD P15428 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
TDP1 Q9NUW8 2/20 0.47
PKM P14618 2/20 0.47
ALDH1A1 P00352 3/20 0.46
TSHR P16473 2/20 0.46
USP2 O75604 1/20 0.44
ALOX15 P16050 1/20 0.44
HSD17B10 Q99714 1/20 0.44
KDM4E B2RXH2 1/20 0.43
GAA P10253 1/20 0.43

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
SCHEMBL12121121 0.87 POLB (0.69) RAB9ANPC1POLBMAPTHPGD
SCHEMBL18905573 0.87 RAB9A (0.56) RAB9ANPC1L3MBTL1POLBMAPT
SCHEMBL18905575 0.79 TDP1 (0.74) RAB9ANPC1L3MBTL1POLBMAPT
SCHEMBL14243219 0.77 SMN1; SMN2 (0.50) RAB9ANPC1MAPTSMN1; SMN2ALDH1A1
SCHEMBL12121132 0.77 POLB (0.53) RAB9ANPC1L3MBTL1POLBHPGD
SCHEMBL12121122 0.74 HTT (0.57) RAB9ANPC1L3MBTL1HPGDSMN1; SMN2
SCHEMBL12124297 0.74 MEN1 (0.56) POLBHPGDSMN1; SMN2ALDH1A1KDM4E
SCHEMBL12121118 0.74 LOXL2 (0.51) RAB9ANPC1SMN1; SMN2
SCHEMBL12121033 0.73 LOXL2 (0.49) RAB9ANPC1MAPTHPGDSMN1; SMN2
SCHEMBL24386505 0.73 SMN1; SMN2 (0.47) RAB9ANPC1HPGDSMN1; SMN2

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-3173418-B1 ORGANIC METAL COMPOUND, ORGANIC LIGHT-EMITTING DEVICES EMPLOYING THE SAME IND TECH RES INST (TW) 2018-05-09 EP disclosed