SCHEMBL17413610

SCHEMBL17413610

Cc1nc2c(C)ccc(C(=O)O)c2nc1C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
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
GABRA2 P47869 1/20 0.48
GABRB2 P47870 1/20 0.48
GABRA4 P48169 1/20 0.48
GABRE P78334 1/20 0.48
GABRA6 Q16445 1/20 0.48
GABRG1 Q8N1C3 1/20 0.48
GABRG3 Q99928 1/20 0.48
GABRQ Q9UN88 1/20 0.48
ALDH1A1 P00352 5/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
RXFP1 Q9HBX9 1/20 0.41
SORT1 Q99523 2/20 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
SCHEMBL7567602 0.83 ALDH1A1 (0.61) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL17413609 0.78 MEN1 (0.50) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL19034446 0.78 GABRP (0.43) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL19034481 0.78 ACE2 (0.44) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL13963490 0.78 MAPT (0.52) ALDH1A1SMN1; SMN2KMT2ACYP1A2KDM4E
SCHEMBL31499279 0.76 KDM4E (0.43) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL7566595 0.74 ALDH1A1 (0.69) ALDH1A1KMT2ACYP1A2KDM4ERAB9A
SCHEMBL3557070 0.73 ALDH1A1 (0.68) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL30380388 0.73 ALDH1A1 (0.68) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL3901573 0.72 KMT2A (0.49) 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
US-9691555-B2 Photosensitive porphyrin dyes for dye-sensitized solar cells NATIONAL CHUNG HSING UNIVERSITY (TW) 2017-06-27 US disclosed
EP-2977412-A2 PHOTOSENSITIVE PORPHYRIN-BASED DYE AND DYE-SENSITIZED SOLAR CELL National Chung Hsing University (TW) 2016-01-27 EP disclosed
US-20160005546-A1 PHOTOSENSITIVE PORPHYRIN DYES FOR DYE-SENSITIZED SOLAR CELLS NATIONAL CHUNG HSING UNIVERSITY (TW) 2016-01-07 US disclosed