SCHEMBL30308993

SCHEMBL30308993

Cc1nn(C)c(Nc2ccc(F)cc2Cl)c1-c1ccc(F)cc1Cl

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.44
HSD11B1 P28845 2/20 0.42
MEN1 O00255 1/20 0.40
GAA P10253 1/20 0.40
KMT2A Q03164 1/20 0.40
SLC34A1 Q06495 3/20 0.39
TP53 P04637 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
P2RX7 Q99572 1/20 0.38
IGF1R P08069 3/20 0.38
LRRK2 Q5S007 1/20 0.36
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
LMNA P02545 1/20 0.35
BCDIN3D Q7Z5W3 1/20 0.35

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
SCHEMBL171493 1.00 MAPK1 (0.44) MAPK1HSD11B1MEN1GAAKMT2A
SCHEMBL17200651 0.95 MAPK1 (0.41) MAPK1HSD11B1MEN1GAAKMT2A
SCHEMBL15155230 0.91 HSD11B1 (0.48) MAPK1HSD11B1KMT2ASLC34A1TP53
SCHEMBL29369356 0.91 HSD11B1 (0.48) MAPK1HSD11B1KMT2ASLC34A1TP53
SCHEMBL20697907 0.90 HSD11B1 (0.39) MAPK1HSD11B1MEN1GAAKMT2A
SCHEMBL168717 0.90 HSD11B1 (0.39) MAPK1HSD11B1MEN1GAAKMT2A
SCHEMBL17200649 0.89 HSD11B1 (0.38) MAPK1HSD11B1GAASLC34A1P2RX7
SCHEMBL15155314 0.88 HSD11B1 (0.44) HSD11B1SLC34A1TP53RXFP1P2RX7
SCHEMBL20697908 0.88 HSD11B1 (0.39) MAPK1HSD11B1KMT2ASLC34A1P2RX7
SCHEMBL29368728 0.88 HSD11B1 (0.44) HSD11B1SLC34A1TP53RXFP1P2RX7

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-115955916-A Active compound combinations 拜耳公司 2023-04-11 CN disclosed