SCHEMBL10636834

SCHEMBL10636834

N#CCc1cc(C(F)(F)F)cc(Cc2ccc(Cl)cc2)c1N

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR2A P28223 2/20 0.34
▸ SLC6A4 P31645 2/20 0.34
▸ KCNH2 Q12809 1/20 0.34
▸ MAPT P10636 3/20 0.34
▸ MEN1 O00255 2/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ CYP2A6 P11509 1/20 0.34
▸ RXRA P19793 1/20 0.34
▸ RXRB P28702 1/20 0.34
▸ RXRG P48443 1/20 0.34
▸ MPO P05164 1/20 0.33
▸ RHOC P08134 1/20 0.33
▸ RHOA P61586 1/20 0.33
▸ HSP90AB1 P08238 1/20 0.33
▸ NPSR1 Q6W5P4 2/20 0.33
▸ LMNA P02545 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ MBOAT4 Q96T53 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32

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
SCHEMBL10396957 0.79 MEN1 (0.40) MAPTMEN1KMT2ARHOCRHOA
SCHEMBL18600038 0.78 GABRP (0.36) MAPTLMNAPOLBGAAL3MBTL1
SCHEMBL9419742 0.71 MAPT (0.37) HTR2ASLC6A4MAPTMEN1KMT2A
SCHEMBL11765293 0.71 MAPT (0.42) MAPTMEN1KMT2ACYP2A6MPO
SCHEMBL9364439 0.70 SLC6A4 (0.41) HTR2ASLC6A4MAPTMEN1KMT2A
SCHEMBL10395952 0.69 CYP2C8 (0.40) —
SCHEMBL29179953 0.68 SLC6A4 (0.43) HTR2ASLC6A4KCNH2MEN1KMT2A
SCHEMBL18602316 0.68 IDO1 (0.40) SLC6A4MAPTMEN1KMT2ARXRA
SCHEMBL30858772 0.68 SLC6A4 (0.43) HTR2ASLC6A4KCNH2MEN1KMT2A
SCHEMBL7097948 0.67 MRGPRX4 (0.33) HTR2ASLC6A4KCNH2CYP2A6RXRA

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
EP-0260924-A1 Antiinflammatory derivatives of 3-aryl-2,1-benzisoxazole A.H. ROBINS COMPANY, INCORPORATED (US) 1988-03-23 — — EP disclosed
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