SCHEMBL24401098

SCHEMBL24401098

O=Cc1cnn(Cc2ccc(C(F)(F)F)nc2)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN1 Q05586 2/20 0.38
GRIN2B Q13224 2/20 0.38
DAO P14920 3/20 0.37
PPARD Q03181 1/20 0.36
CYP11B1 P15538 1/20 0.36
TRPV4 Q9HBA0 1/20 0.36
CNR1 P21554 3/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
CYP3A4 P08684 2/20 0.34
CYP2C9 P11712 2/20 0.34
PSD A5PKW4 1/20 0.34
HDAC2 Q92769 1/20 0.34
PRMT5 O14744 1/20 0.34
WDR77 Q9BQA1 1/20 0.34
EGLN1 Q9GZT9 1/20 0.34
PDE9A O76083 1/20 0.34
PDE1C Q14123 1/20 0.34
CYP2C19 P33261 1/20 0.33
PREP P48147 1/20 0.33

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
SCHEMBL25911631 0.82 LOXL2 (0.46) GRIN1GRIN2BPSD
SCHEMBL25269987 0.79 GRIN1 (0.40) GRIN1GRIN2BDAOPPARDTRPV4
SCHEMBL21503682 0.78 LOXL2 (0.40) GRIN1GRIN2BDAOPPARDTRPV4
SCHEMBL30755398 0.77 LMNA (0.58) LMNAMAPTPSDHDAC2
SCHEMBL26202009 0.77 CYP3A4 (0.40) GRIN1GRIN2BDAOPPARDTRPV4
Hydrochloric Acid SCHEMBL21491894 0.77 LMNA (0.41) GRIN1GRIN2BDAOPPARDTRPV4
Hydrochloric Acid SCHEMBL30744436 0.77 LMNA (0.41) GRIN1GRIN2BDAOPPARDTRPV4
SCHEMBL21493002 0.76 PPARD (0.42) PPARDLMNAMAPTPREP
SCHEMBL30744539 0.76 PPARD (0.42) PPARDLMNAMAPTPREP
SCHEMBL8209503 0.76 KLKB1 (0.45) PPARDLMNAMAPT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4238974-A1 HIGH-ACTIVITY WNT PATHWAY INHIBITOR COMPOUND Adlai Nortye Biopharma Co., Ltd. (CN) 2023-09-06 EP disclosed
WO-2022089454-A1 HIGH-ACTIVITY WNT PATHWAY INHIBITOR COMPOUND 杭州阿诺生物医药科技有限公司 2022-05-05 WO disclosed