SCHEMBL29016642

SCHEMBL29016642

CC(C)n1c(Cc2ccc(OC(F)F)cc2)nc2ccc(Br)cc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
APOBEC3G Q9HC16 1/20 0.41
POLB P06746 1/20 0.37
CNR2 P34972 3/20 0.36
BMI1 P35226 1/20 0.36
CNR1 P21554 1/20 0.36
MBOAT4 Q96T53 1/20 0.35
HTT P42858 1/20 0.35
CSF1R P07333 1/20 0.35
FFAR1 O14842 1/20 0.35
PPARA Q07869 1/20 0.35
KIT P10721 1/20 0.34
MAPT P10636 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
NPM1 P06748 1/20 0.34
ALK Q9UM73 1/20 0.34
NPC1 O15118 1/20 0.34
USP2 O75604 1/20 0.34
ALDH1A1 P00352 1/20 0.34

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
SCHEMBL30369993 0.86 CNR2 (0.44) MEN1KMT2APOLBCNR2BMI1
SCHEMBL29016582 0.86 CNR2 (0.44) MEN1KMT2APOLBCNR2BMI1
SCHEMBL29016571 0.82 CNR2 (0.41) MEN1KMT2APOLBCNR2HTT
SCHEMBL29016631 0.81 RORC (0.46) CNR2CNR1
SCHEMBL29016659 0.80 CYP11B1 (0.43) MEN1KMT2ABMI1HTTMAPT
SCHEMBL29016550 0.78 RORC (0.40) ALDH1A1
SCHEMBL30370349 0.78 POLB (0.38) MEN1KMT2APOLBCNR2CNR1
SCHEMBL30370131 0.72 RORC (0.50) CNR2CNR1
SCHEMBL29016565 0.72 RORC (0.50) CNR2CNR1
SCHEMBL15552105 0.68 TP53 (0.42) MEN1KMT2AHTTMAPTSMN1; 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
CN-108689942-B Nitrogen-containing bicyclic compound, and preparation method and application thereof 广东东阳光药业有限公司 2023-06-09 CN disclosed