SCHEMBL9429404

SCHEMBL9429404

CC(C)c1ccc(C2=C3C=CC(=N3)C(c3ccc(C(C)C)cc3)=C3C=CC(=N3)C(c3ccc(C(C)C)cc3)=C3C=CC(=N3)C(c3ccc(C(C)C)cc3)=C3C=CC2=N3)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 3/20 0.37
▸ NOTUM Q6P988 3/20 0.37
▸ NPC1 O15118 2/20 0.37
▸ TP53 P04637 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37
▸ MAPT P10636 2/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ USP2 O75604 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ NISCH Q9Y2I1 1/20 0.36
▸ PAX8 Q06710 1/20 0.33
▸ NOD2 Q9HC29 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ ERBB2 P04626 1/20 0.33
▸ KIF11 P52732 1/20 0.33
▸ TYR P14679 2/20 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
SCHEMBL9718839 0.78 CYP1A2 (0.36) RAB9ANOTUMNPC1LMNAKDM4E
SCHEMBL9718812 0.78 HPGD (0.38) RAB9ANOTUMNPC1MEN1LMNA
SCHEMBL3424113 0.78 ALDH1A1 (0.42) RAB9ANPC1TP53MAPTMEN1
SCHEMBL9429810 0.74 ACHE (0.46) RAB9ANPC1TP53NPSR1MAPT
SCHEMBL499291 0.74 ESR1 (0.42) RAB9ANPC1TP53MAPTMEN1
SCHEMBL5918903 0.74 IDO1 (0.31) —
SCHEMBL6394347 0.73 KIF11 (0.37) MAPTMEN1KMT2AKIF11
SCHEMBL1680192 0.73 ME2 (0.43) RAB9ANPC1TP53NPSR1MAPT
SCHEMBL3913647 0.72 NPC1 (0.43) RAB9ANPC1MAPTMEN1LMNA
SCHEMBL6535088 0.72 CYP2D6 (0.33) HPGDCYP2C9

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
US-5284647-A Administering for magnetic resonance imaging SCHERING AKTIENGESELLSCHAFT (DE) 1994-02-08 — — US disclosed
EP-0336879-A1 Meso-tetraphenylporphyrin complex compounds,process for their preparation and pharmaceuticals containing them SCHERING AKTIENGESELLSCHAFT (DE) 1989-10-11 — — EP disclosed
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