SCHEMBL30112066

SCHEMBL30112066

CCNc1ccc(C(=O)OCC)nc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 2/20 0.47
▸ NPC1 O15118 4/20 0.45
▸ SMN1; SMN2 Q16637 4/20 0.45
▸ RAB9A P51151 2/20 0.45
▸ GABRA1 P14867 7/20 0.45
▸ GABRG2 P18507 7/20 0.45
▸ GABRB3 P28472 7/20 0.45
▸ GABRA5 P31644 7/20 0.45
▸ GABRA3 P34903 7/20 0.45
▸ GABRA2 P47869 7/20 0.45
▸ GABRA4 P48169 7/20 0.45
▸ GABRA6 Q16445 7/20 0.45
▸ GABRP O00591 6/20 0.45
▸ GABRD O14764 6/20 0.45
▸ GABRB1 P18505 6/20 0.45
▸ GABRB2 P47870 6/20 0.45
▸ GABRE P78334 6/20 0.45
▸ GABRG1 Q8N1C3 6/20 0.45
▸ GABRG3 Q99928 6/20 0.45
▸ GABRQ Q9UN88 6/20 0.45

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
SCHEMBL19555950 1.00 CYP1A2 (0.47) CYP1A2NPC1SMN1; SMN2RAB9AGABRA1
SCHEMBL28551286 0.83 RAB9A (0.57) CYP1A2NPC1SMN1; SMN2RAB9AGABRA1
SCHEMBL28911125 0.83 KMT2A (0.48) CYP1A2NPC1SMN1; SMN2RAB9AGABRA1
SCHEMBL11399731 0.83 NPC1 (0.49) CYP1A2NPC1SMN1; SMN2RAB9AGABRA1
SCHEMBL29031128 0.82 SMN1; SMN2 (0.47) CYP1A2NPC1SMN1; SMN2RAB9AMAPT
SCHEMBL28543158 0.81 SMN1; SMN2 (0.53) CYP1A2NPC1SMN1; SMN2RAB9AGABRA1
SCHEMBL28532069 0.81 ALDH1A1 (0.54) CYP1A2NPC1SMN1; SMN2RAB9AGABRA2
SCHEMBL18405340 0.80 P4HTM (0.60) CYP1A2ADRA2AADRA2BADRA2CMAPT
SCHEMBL30112058 0.80 P4HTM (0.60) CYP1A2ADRA2AADRA2BADRA2CMAPT
SCHEMBL347328 0.79 CYP1A2 (0.51) CYP1A2NPC1SMN1; SMN2RAB9AGABRA1

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
CN-112204009-B Modulators of integrated stress pathways 卡里科生命科学有限责任公司 2024-05-07 — — CN disclosed
CN-109641854-B Modulators of integrated stress pathways 卡里科生命科学有限责任公司 2023-02-03 — — CN disclosed
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