SCHEMBL1980810

SCHEMBL1980810

c1ccc2c(c1)[nH]c1cnc(-c3cncnc3)cc12

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 3/20 0.57
GABRP O00591 9/20 0.55
GABRD O14764 9/20 0.55
GABRA1 P14867 9/20 0.55
GABRB1 P18505 9/20 0.55
GABRG2 P18507 9/20 0.55
GABRB3 P28472 9/20 0.55
GABRA5 P31644 9/20 0.55
GABRA3 P34903 9/20 0.55
GABRA2 P47869 9/20 0.55
GABRB2 P47870 9/20 0.55
GABRA4 P48169 9/20 0.55
GABRE P78334 9/20 0.55
GABRA6 Q16445 9/20 0.55
GABRG1 Q8N1C3 9/20 0.55
GABRG3 Q99928 9/20 0.55
GABRQ Q9UN88 9/20 0.55
ALDH1A1 P00352 2/20 0.51
KMT2A Q03164 1/20 0.50
KDM4E B2RXH2 1/20 0.49

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
SCHEMBL10647099 0.85 GABRP (0.60) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL1983599 0.85 PIM1 (0.62) PIM1GABRPGABRDGABRA1GABRB1
SCHEMBL12938276 0.85 GABRP (0.68) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL12938258 0.76 PIM1 (0.59) PIM1GABRPGABRDGABRA1GABRB1
SCHEMBL10856978 0.74 GABRP (0.54) GABRPGABRDGABRA1GABRB1GABRG2
Carbazole SCHEMBL28812670 0.73 ALDH1A1 (0.74) PIM1GABRPGABRDGABRA1GABRB1
Carbazole SCHEMBL21085173 0.73 ALDH1A1 (0.74) PIM1GABRPGABRDGABRA1GABRB1
SCHEMBL14689212 0.73 PIM1 (1.00) PIM1
SCHEMBL7496083 0.72 GABRP (0.51) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL1984445 0.71 GABRP (0.64) GABRPGABRDGABRA1GABRB1GABRG2

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