SCHEMBL5749185

SCHEMBL5749185

COc1cc(C(=O)c2c(C)[c]c3ccc(OCc4ccccc4)cn23)ccc1N

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ SMPD1 P17405 1/20 0.40
▸ HDAC1 Q13547 1/20 0.40
▸ HDAC8 Q9BY41 1/20 0.40
▸ HDAC6 Q9UBN7 1/20 0.40
▸ LNPEP Q9UIQ6 2/20 0.39
▸ MAOB P27338 1/20 0.39
▸ PARP10 Q53GL7 1/20 0.39
▸ ATM Q13315 1/20 0.39
▸ SRD5A2 P31213 2/20 0.38
▸ NR4A1 P22736 1/20 0.38
▸ NR4A2 P43354 1/20 0.38
▸ NR4A3 Q92570 1/20 0.38
▸ MEN1 O00255 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ KMT2A Q03164 1/20 0.37

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
SCHEMBL5396416 0.87 ALDH1A1 (0.41) L3MBTL1NPC1SMN1; SMN2MEN1MAPT
SCHEMBL5782533 0.83 ALDH1A1 (0.40) L3MBTL1SMN1; SMN2
SCHEMBL3944692 0.82 L3MBTL1 (0.40) L3MBTL1NPC1HPGDRAB9ASMN1; SMN2
SCHEMBL1382277 0.79 ALDH1A1 (0.42) L3MBTL1NPC1SMN1; SMN2ATMMAPT
SCHEMBL1572762 0.73 SRD5A2 (0.39) NPC1RAB9ASMN1; SMN2LNPEPMAOB
SCHEMBL4509609 0.71 LNPEP (0.42) HPGDLNPEPMAOBPARP10SRD5A2
SCHEMBL7291737 0.71 MAOB (0.58) L3MBTL1RAB9ASMN1; SMN2HDAC6MAOB
SCHEMBL5407521 0.71 ALDH1A1 (0.38) L3MBTL1SMN1; SMN2MEN1KMT2A
SCHEMBL146411 0.70 RXRA (0.46) NPC1HPGDRAB9ASMN1; SMN2ATM
SCHEMBL9047043 0.69 SRD5A2 (0.65) L3MBTL1NPC1HPGDRAB9ASMN1; 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
EP-1664047-A1 SUBSTITUTED INDOLIZINE 1,2,3,6,7,8 DERIVATIVES, FGFS INHIBITORS, A METHOD FOR THE PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAID DERIVATIVES Sanofi-Aventis (FR) 2006-06-07 — — EP disclosed
WO-2005028476-A1 SUBSTITUTED INDOLIZINE 1,2,3,6,7,8 DERIVATIVES, FGFS INHIBITORS, A METHOD FOR THE PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAID DERIVATIVES SANOFI-AVENTIS (FR) 2005-03-31 — — WO disclosed
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