SCHEMBL29954784

SCHEMBL29954784

O=Cc1cnn(-c2cccc(C(F)(F)F)c2)c1Br

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.48
RAB9A P51151 3/20 0.48
HPGD P15428 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
MAPT P10636 3/20 0.45
CYP1A2 P05177 2/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C19 P33261 1/20 0.45
KMT2A Q03164 3/20 0.44
MEN1 O00255 2/20 0.44
GAA P10253 2/20 0.44
EPHX2 P34913 1/20 0.44
NPBWR1 P48145 1/20 0.43
MCHR1 Q99705 1/20 0.43
HTT P42858 1/20 0.41
POLB P06746 3/20 0.41
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
SMO Q99835 1/20 0.41
NOTUM Q6P988 2/20 0.40

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
SCHEMBL29955120 0.84 NPC1 (0.51) NPC1RAB9AHPGDSMN1; SMN2MAPT
SCHEMBL29951366 0.83 HIF1A (0.45) RAB9ASMN1; SMN2MAPTKMT2AMEN1
SCHEMBL15330532 0.82 MAPK14 (0.43) NPC1RAB9ASMN1; SMN2CYP1A2KMT2A
SCHEMBL15332981 0.81 NPBWR1 (0.41) NPC1RAB9ASMN1; SMN2MAPTKMT2A
SCHEMBL15331277 0.80 NPC1 (0.46) NPC1RAB9AHPGDSMN1; SMN2MAPT
SCHEMBL31632786 0.76 NR3C1 (0.49) NPC1RAB9AHPGDSMN1; SMN2MAPT
SCHEMBL29955468 0.76 KMT2A (0.43) NPC1RAB9AHPGDSMN1; SMN2MAPT
SCHEMBL15330680 0.75 MAPT (0.51) NPC1RAB9AHPGDSMN1; SMN2MAPT
SCHEMBL15332784 0.74 PTGS2 (0.36) NPBWR1MCHR1POLBL3MBTL1
SCHEMBL3039672 0.74 MAPT (0.61) NPC1RAB9AHPGDSMN1; SMN2MAPT

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-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed