SCHEMBL1983604

SCHEMBL1983604

COc1ccc2[nH]c3cnc(N)cc3c2c1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.66
KDM4E B2RXH2 3/20 0.66
MAPT P10636 3/20 0.66
MEN1 O00255 3/20 0.66
KMT2A Q03164 3/20 0.66
GFER P55789 3/20 0.66
HSD17B10 Q99714 2/20 0.66
TSHR P16473 1/20 0.66
CHUK O15111 1/20 0.61
ACHE P22303 3/20 0.59
HPGD P15428 2/20 0.57
BCHE P06276 2/20 0.49
GABRP O00591 1/20 0.48
GABRD O14764 1/20 0.48
GABRA1 P14867 1/20 0.48
GABRB1 P18505 1/20 0.48
GABRG2 P18507 1/20 0.48
GABRB3 P28472 1/20 0.48
GABRA5 P31644 1/20 0.48
GABRA3 P34903 1/20 0.48

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
SCHEMBL1979217 0.84 ALDH1A1 (0.53) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL1979008 0.81 ALDH1A1 (0.66) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL1980977 0.81 ALDH1A1 (0.66) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL29391519 0.81 ALDH1A1 (1.00) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL2597652 0.81 ALDH1A1 (1.00) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL31451485 0.79 ALDH1A1 (0.72) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL1182043 0.78 ALDH1A1 (0.78) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL1981698 0.77 GABRA1 (0.63) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL3685010 0.76 CHUK (1.00) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL29986061 0.76 CHUK (1.00) ALDH1A1KDM4EMAPTMEN1KMT2A

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-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