SCHEMBL30608730

SCHEMBL30608730

CCc1cc2c(nc1CC)Cc1ccccc1-2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GABRP O00591 1/20 0.40
▸ GABRD O14764 1/20 0.40
▸ GABRA1 P14867 1/20 0.40
▸ GABRB1 P18505 1/20 0.40
▸ GABRG2 P18507 1/20 0.40
▸ GABRB3 P28472 1/20 0.40
▸ GABRA5 P31644 1/20 0.40
▸ GABRA3 P34903 1/20 0.40
▸ GABRA2 P47869 1/20 0.40
▸ GABRB2 P47870 1/20 0.40
▸ GABRA4 P48169 1/20 0.40
▸ GABRE P78334 1/20 0.40
▸ GABRA6 Q16445 1/20 0.40
▸ GABRG1 Q8N1C3 1/20 0.40
▸ GABRG3 Q99928 1/20 0.40
▸ GABRQ Q9UN88 1/20 0.40
▸ TRPA1 O75762 2/20 0.38
▸ NPC1 O15118 3/20 0.37
▸ RAB9A P51151 3/20 0.37
▸ METAP2 P50579 1/20 0.36

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
SCHEMBL25983052 0.70 KDM4E (0.41) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL18165417 0.69 HEXA (0.37) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL14452840 0.68 KDM4E (0.59) NPC1RAB9AMETAP2MAOAMAPT
SCHEMBL16169851 0.68 KDM4E (0.59) NPC1RAB9AMETAP2MAOAMAPT
SCHEMBL12151222 0.68 MAOA (0.50) NPC1RAB9AMAOAMAPTKDM4E
SCHEMBL19106485 0.68 HEXA (0.36) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL633763 0.66 PNMT (0.68) GABRA1GABRB2NPC1RAB9AMAOA
SCHEMBL30606684 0.66 PNMT (0.68) GABRA1GABRB2NPC1RAB9AMAOA
SCHEMBL2690046 0.66 NPC1 (0.37) GABRPGABRDGABRA1GABRB1GABRG2
Fluorene SCHEMBL7863457 0.65 MAOA (0.54) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116751165-A Preparation method of 1-azafluorene and chiral 1-azafluorene containing axis 武汉大学深圳研究院 2023-09-15 — — CN disclosed
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