SCHEMBL30816136

SCHEMBL30816136

c1ccc(-c2nnc(-c3ccc(-c4ccc5c(c4)OCCO5)cc3)o2)cc1

nearest known ligand 0.91

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GSK3A P49840 2/20 0.62
▸ GSK3B P49841 2/20 0.62
▸ TERT O14746 1/20 0.58
▸ ADCY1 Q08828 1/20 0.55
▸ NPC1 O15118 4/20 0.55
▸ RAB9A P51151 4/20 0.55
▸ SMN1; SMN2 Q16637 4/20 0.55
▸ KDM4E B2RXH2 3/20 0.55
▸ ALDH1A1 P00352 3/20 0.55
▸ MAPT P10636 3/20 0.55
▸ CYP11B1 P15538 1/20 0.54
▸ CYP11B2 P19099 1/20 0.54
▸ METAP2 P50579 3/20 0.53
▸ GLA P06280 1/20 0.53
▸ HPGD P15428 1/20 0.53
▸ ALOX15 P16050 1/20 0.53
▸ HSD17B10 Q99714 1/20 0.53
▸ NFKB1 P19838 1/20 0.52
▸ NFKB2 Q00653 1/20 0.52
▸ RELA Q04206 1/20 0.52

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
SCHEMBL28723457 1.00 GSK3A (0.62) GSK3AGSK3BTERTADCY1NPC1
SCHEMBL9903729 0.81 LMNA (0.59) GSK3AGSK3BSMN1; SMN2KDM4EMAPT
SCHEMBL12170980 0.79 NPC1 (0.60) ADCY1NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL12871205 0.79 STIM1 (0.64) GSK3AGSK3BADCY1NPC1RAB9A
SCHEMBL12306750 0.79 NPC1 (0.74) NPC1RAB9ASMN1; SMN2KDM4EALDH1A1
SCHEMBL46424 0.78 NPC1 (0.90) NPC1RAB9ASMN1; SMN2KDM4EALDH1A1
SCHEMBL22858502 0.78 NPC1 (0.90) NPC1RAB9ASMN1; SMN2KDM4EALDH1A1
SCHEMBL522555 0.78 NPC1 (0.90) NPC1RAB9ASMN1; SMN2KDM4EALDH1A1
SCHEMBL74999 0.78 NPC1 (0.90) NPC1RAB9ASMN1; SMN2KDM4EALDH1A1
SCHEMBL14604095 0.78 GSK3B (1.00) GSK3AGSK3BTERT

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-113528052-B Adhesive tape 宁波大榭开发区综研化学有限公司 2024-03-08 — — CN disclosed
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