SCHEMBL5313528

SCHEMBL5313528

Cc1ccc(-c2ccc(-c3cc(NCc4cccs4)n(C)n3)cc2)cc1C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 8/20 0.45
▸ KDM4E B2RXH2 6/20 0.45
▸ LMNA P02545 5/20 0.45
▸ F2 P00734 1/20 0.43
▸ MAPT P10636 4/20 0.43
▸ MEN1 O00255 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ SMN1; SMN2 Q16637 5/20 0.41
▸ RAB9A P51151 2/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ CLK4 Q9HAZ1 6/20 0.40
▸ CYP1A2 P05177 3/20 0.40
▸ L3MBTL1 Q9Y468 3/20 0.39
▸ TSHR P16473 3/20 0.39
▸ CYP3A4 P08684 2/20 0.39
▸ CYP2D6 P10635 2/20 0.39
▸ CYP2C19 P33261 2/20 0.39
▸ HPGD P15428 2/20 0.39
▸ PTGS2 P35354 1/20 0.39

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
SCHEMBL5306913 0.80 CDK2 (0.40) ALDH1A1KDM4EMAPTRAB9ANPC1
SCHEMBL5311858 0.80 LMNA (0.43) KDM4ELMNAMAPTHPGDMAPK1
SCHEMBL5303639 0.79 LMNA (0.44) ALDH1A1KDM4ELMNAF2MAPT
SCHEMBL5310087 0.78 CYP1A2 (0.44) ALDH1A1KDM4ELMNAMAPTMEN1
SCHEMBL5303482 0.77 MAPT (0.47) ALDH1A1LMNAMAPTMEN1KMT2A
SCHEMBL5304358 0.77 MAPT (0.45) MAPTMEN1KMT2ASMN1; SMN2RAB9A
SCHEMBL5306328 0.77 F2 (0.47) ALDH1A1KDM4EF2MAPTMEN1
SCHEMBL5332325 0.76 MAPT (0.45) LMNAMAPTSMN1; SMN2CLK4GAA
SCHEMBL5307225 0.76 MAPT (0.48) ALDH1A1KDM4ELMNAMAPTMEN1
SCHEMBL5303090 0.75 MAPT (0.51) ALDH1A1KDM4ELMNAMAPTSMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007034279-A2 C3A ANTAGONISTS AND PHARMACEUTICAL COMPOSITIONS THEREOF PFIZER PRODUCTS INC. (US) 2007-03-29 — — WO claimed
WO-2007034279-A2 C3A ANTAGONISTS AND PHARMACEUTICAL COMPOSITIONS THEREOF PFIZER PRODUCTS INC. (US) 2007-03-29 — — WO disclosed
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