SCHEMBL7017306

SCHEMBL7017306

NCCNC(=O)c1cc2c(cn1)sc1ccccc12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRP O00591 1/20 0.56
GABRD O14764 1/20 0.56
GABRA1 P14867 1/20 0.56
GABRB1 P18505 1/20 0.56
GABRG2 P18507 1/20 0.56
GABRB3 P28472 1/20 0.56
GABRA5 P31644 1/20 0.56
GABRA3 P34903 1/20 0.56
GABRA2 P47869 1/20 0.56
GABRB2 P47870 1/20 0.56
GABRA4 P48169 1/20 0.56
GABRE P78334 1/20 0.56
GABRA6 Q16445 1/20 0.56
GABRG1 Q8N1C3 1/20 0.56
GABRG3 Q99928 1/20 0.56
GABRQ Q9UN88 1/20 0.56
MAOB P27338 2/20 0.49
RAB9A P51151 3/20 0.48
MEN1 O00255 1/20 0.48
POLB P06746 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
SCHEMBL13697478 0.78 KMT2A (0.78) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL5225161 0.77 GABRP (0.64) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL5226233 0.75 GABRP (0.74) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL7011557 0.72 GABRA1 (1.00) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL10148327 0.69 OGG1 (0.71) RAB9AKMT2AHDAC1HDAC8HDAC6
SCHEMBL6008674 0.69 CHRNA7 (0.57)
Hydrochloric Acid SCHEMBL6006980 0.69 CHRNA7 (0.56)
SCHEMBL3505235 0.68 KMT2A (0.69) MAOBMEN1KMT2AHDAC3HDAC1
SCHEMBL8155035 0.68 KMT2A (0.78) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL12377091 0.68 KMT2A (0.78) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0285671-B1 PYRIDINE DERIVATIVES ASAHI CHEMICAL IND (JP) 2003-09-03 EP disclosed
EP-0285671-A1 PYRIDINE DERIVATIVES Asahi Kasei Kabushiki Kaisha (JP) 1988-10-12 EP disclosed