SCHEMBL30862000

SCHEMBL30862000

N#Cc1cc(Cc2cccnc2)ccc1F

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1D1 P20393 4/20 0.48
NR1H3 Q13133 4/20 0.48
MAPT P10636 2/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
PABPC1 P11940 1/20 0.43
TSHR P16473 3/20 0.42
CYP11B1 P15538 1/20 0.42
CYP11B2 P19099 1/20 0.42
ALDH1A1 P00352 4/20 0.42
HPGD P15428 3/20 0.42
LMNA P02545 2/20 0.42
KDM4E B2RXH2 1/20 0.42
PKM P14618 1/20 0.42
ALOX15 P16050 1/20 0.42
ALOX12 P18054 1/20 0.42
ATM Q13315 1/20 0.42
HSD17B10 Q99714 1/20 0.42
TBXAS1 P24557 2/20 0.41
MAPK1 P28482 1/20 0.41

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
SCHEMBL3512964 1.00 NR1D1 (0.48) NR1D1NR1H3MAPTMEN1KMT2A
SCHEMBL7673699 0.88 NR1D1 (0.48) NR1D1NR1H3TSHRCYP11B1CYP11B2
SCHEMBL24872544 0.82 TRPV4 (0.45) CYP11B1CYP11B2GPR52
SCHEMBL30037290 0.81 IDH1 (0.43) TSHRHPGDKDM4EHSD17B10GPR52
SCHEMBL3512013 0.81 IDH1 (0.43) TSHRHPGDKDM4EHSD17B10GPR52
SCHEMBL3512037 0.78 TAAR1 (0.44) CYP11B1CYP11B2ALDH1A1HPGDKDM4E
SCHEMBL29442825 0.77 MEN1 (0.47) MAPTMEN1KMT2APABPC1CYP11B1
SCHEMBL28701298 0.77 MEN1 (0.47) MAPTMEN1KMT2APABPC1CYP11B1
SCHEMBL21384007 0.77 GPR52 (0.43) CYP11B1CYP11B2GPR52
SCHEMBL29442797 0.77 GPR52 (0.43) CYP11B1CYP11B2GPR52

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-112312913-B Compounds and uses thereof 詹森药业有限公司 2024-03-08 CN disclosed