SCHEMBL9187016

SCHEMBL9187016

Cc1cccc2c(=O)c3cc([N+](=O)[O-])ccc3oc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GABRP O00591 2/20 0.49
▸ GABRD O14764 2/20 0.49
▸ GABRA1 P14867 2/20 0.49
▸ GABRB1 P18505 2/20 0.49
▸ GABRG2 P18507 2/20 0.49
▸ GABRB3 P28472 2/20 0.49
▸ GABRA5 P31644 2/20 0.49
▸ GABRA3 P34903 2/20 0.49
▸ GABRA2 P47869 2/20 0.49
▸ GABRB2 P47870 2/20 0.49
▸ GABRA4 P48169 2/20 0.49
▸ GABRE P78334 2/20 0.49
▸ GABRA6 Q16445 2/20 0.49
▸ GABRG1 Q8N1C3 2/20 0.49
▸ GABRG3 Q99928 2/20 0.49
▸ GABRQ Q9UN88 2/20 0.49
▸ KDM1A O60341 1/20 0.48
▸ MEN1 O00255 1/20 0.48
▸ MAPT P10636 1/20 0.48
▸ KMT2A Q03164 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
SCHEMBL9185559 0.84 TTR (0.59) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL17820661 0.84 GABRP (0.49) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL11385812 0.83 MAOA (0.63) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL9189119 0.81 KDM1A (0.61) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL6524056 0.80 MAPT (0.69) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL9187037 0.79 KDM1A (0.53) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL17819869 0.76 GABRP (0.46) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL11661116 0.76 ALDH1A1 (0.51) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL8711628 0.76 MAOA (0.64) MEN1MAPTKMT2A
SCHEMBL11233028 0.76 KDM1A (0.53) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5176854-A Xanthone Derivatives HITACHI, LTD. (JP) 1993-01-05 — — US claimed
EP-0315140-B1 Non-linear optical device HITACHI LTD (JP) 1995-08-23 — — EP disclosed
US-5176854-A Xanthone Derivatives HITACHI, LTD. (JP) 1993-01-05 — — US disclosed
EP-0315140-A2 Non-linear optical device HITACHI, LTD. (JP) 1989-05-10 — — EP disclosed
Send feedback