SCHEMBL1980699

SCHEMBL1980699

COc1ccc2[nH]c3cnc(-c4ccc(SC)nc4)cc3c2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.50
ALDH1A1 P00352 4/20 0.50
MAPT P10636 3/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
HSD17B10 Q99714 2/20 0.50
TSHR P16473 1/20 0.50
GFER P55789 1/20 0.50
CHUK O15111 1/20 0.49
ACHE P22303 3/20 0.47
HPGD P15428 3/20 0.45
NPC1 O15118 4/20 0.42
RAB9A P51151 4/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
DYRK1A Q13627 1/20 0.42
ABCG2 Q9UNQ0 1/20 0.41
MTNR1A P48039 1/20 0.41
MTNR1B P49286 1/20 0.41
BCHE P06276 2/20 0.40
POLB P06746 1/20 0.40

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
SCHEMBL1980773 0.84 KDM4E (0.54) KDM4EALDH1A1MAPTMEN1KMT2A
SCHEMBL1979217 0.83 ALDH1A1 (0.53) KDM4EALDH1A1MAPTMEN1KMT2A
SCHEMBL1980243 0.78 CHUK (0.61) KDM4EALDH1A1MAPTMEN1KMT2A
SCHEMBL1980167 0.78 CHUK (0.57) KDM4EALDH1A1MAPTMEN1KMT2A
SCHEMBL1978967 0.76 PIM1 (0.61) KDM4EALDH1A1MAPTMEN1KMT2A
SCHEMBL1979008 0.71 ALDH1A1 (0.66) KDM4EALDH1A1MAPTMEN1KMT2A
SCHEMBL1980977 0.71 ALDH1A1 (0.66) KDM4EALDH1A1MAPTMEN1KMT2A
SCHEMBL1983604 0.71 ALDH1A1 (0.66) KDM4EALDH1A1MAPTMEN1KMT2A
SCHEMBL29391519 0.71 ALDH1A1 (1.00) KDM4EALDH1A1MAPTMEN1KMT2A
SCHEMBL2597652 0.71 ALDH1A1 (1.00) KDM4EALDH1A1MAPTMEN1KMT2A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011070298-A1 DI-SUBSTITUTED 9H-PYRIDO[3,4-B]INDOLE DERIVATIVES, PREPARATION OF SAME AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2011-06-16 WO claimed
WO-2011070298-A1 DI-SUBSTITUTED 9H-PYRIDO[3,4-B]INDOLE DERIVATIVES, PREPARATION OF SAME AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2011-06-16 WO disclosed
WO-2011070298-A1 DI-SUBSTITUTED 9H-PYRIDO[3,4-B]INDOLE DERIVATIVES, PREPARATION OF SAME AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2011-06-16 WO disclosed