SCHEMBL3409307

SCHEMBL3409307

COc1ccc(-c2nc3ccc(-c4cs[c]n4)cn3c2C)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 1/20 0.44
CYP11B2 P19099 1/20 0.44
MAPT P10636 4/20 0.41
RAB9A P51151 4/20 0.41
NPC1 O15118 3/20 0.41
SLC2A1 P11166 3/20 0.41
NR1H4 Q96RI1 1/20 0.40
ALOX5 P09917 1/20 0.40
ATM Q13315 1/20 0.40
ALDH1A1 P00352 3/20 0.39
GAA P10253 3/20 0.39
KDM4E B2RXH2 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
ALDH1A3 P47895 1/20 0.39
TUBB4A P04350 1/20 0.38
TUBB P07437 1/20 0.38
TUBA3C P0DPH7 1/20 0.38
TUBA1B P68363 1/20 0.38
TUBA4A P68366 1/20 0.38
TUBB4B P68371 1/20 0.38

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
SCHEMBL218181 0.77 MAPT (0.47) CYP11B1CYP11B2MAPTRAB9ANPC1
SCHEMBL679068 0.77 NPC1 (0.50) MAPTRAB9ANPC1ATMALDH1A1
SCHEMBL22627444 0.70 RAB9A (0.72) MAPTRAB9ANPC1ATMALDH1A1
SCHEMBL6520038 0.69 NR1H4 (0.47) CYP11B1CYP11B2MAPTRAB9ANPC1
SCHEMBL220001 0.69 HIF1A (0.57) CYP11B1CYP11B2MAPTRAB9ANPC1
SCHEMBL17626204 0.69 MAPT (0.42) MAPTRAB9ANPC1ATMALDH1A1
SCHEMBL2749440 0.68 CYP1B1 (0.50) RAB9ANPC1ALDH1A1KDM4ESMN1; SMN2
SCHEMBL3409155 0.68 CYP11B1 (0.49) CYP11B1CYP11B2MAPTRAB9ANPC1
SCHEMBL21566092 0.68 CYP11B1 (0.47) CYP11B1CYP11B2MAPTRAB9ANPC1
SCHEMBL6527443 0.67 NR4A2 (0.47) CYP11B1CYP11B2MAPTRAB9ANPC1

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-2262804-A1 POLYSUBSTITUTED DERIVATIVES OF 6-HETEROARYL-IMIDAZO[L,2- A] PYRIDINES, AND PREPARATION AND THERAPEUTIC USE THEREOF Sanofi-aventis (FR) 2010-12-22 EP disclosed
WO-2009144392-A1 POLYSUBSTITUTED DERIVATIVES OF 6-HETEROARYL-IMIDAZO[L,2- Α] PYRIDINES, AND PREPARATION AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2009-12-03 WO disclosed