SCHEMBL29894608

SCHEMBL29894608

O=C1C(c2oc3ccccc3c2O)=Nc2ccccc21

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 7/20 0.55
▸ CDK2 P24941 4/20 0.55
▸ HSD17B10 Q99714 3/20 0.55
▸ SRC P12931 2/20 0.55
▸ CTRB1 P17538 2/20 0.55
▸ CCNE1 P24864 2/20 0.55
▸ AHR P35869 2/20 0.55
▸ TDP1 Q9NUW8 2/20 0.55
▸ RECQL P46063 1/20 0.55
▸ KMT2A Q03164 8/20 0.49
▸ MEN1 O00255 7/20 0.49
▸ MAPK1 P28482 5/20 0.49
▸ GSK3A P49840 5/20 0.49
▸ GSK3B P49841 5/20 0.49
▸ MAPT P10636 4/20 0.49
▸ SMN1; SMN2 Q16637 3/20 0.49
▸ CCNA2 P20248 3/20 0.49
▸ CDK5 Q00535 3/20 0.49
▸ CDK5R1 Q15078 3/20 0.49
▸ RAB9A P51151 2/20 0.49

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
SCHEMBL21316073 0.72 MEN1 (0.63) ALDH1A1CDK2HSD17B10SRCCTRB1
SCHEMBL23064865 0.71 CDK2 (1.00) ALDH1A1CDK2HSD17B10SRCCTRB1
SCHEMBL29353719 0.71 CDK2 (1.00) ALDH1A1CDK2HSD17B10SRCCTRB1
SCHEMBL29498345 0.69 CDK2 (0.52) ALDH1A1CDK2HSD17B10SRCCTRB1
SCHEMBL30921007 0.69 ALDH1A1 (0.52) ALDH1A1CDK2HSD17B10SRCCTRB1
SCHEMBL28894653 0.69 MAPT (0.61) ALDH1A1CDK2HSD17B10SRCCTRB1
SCHEMBL29594088 0.69 MAPT (0.61) ALDH1A1CDK2HSD17B10SRCCTRB1
SCHEMBL29894590 0.69 CDK2 (0.55) ALDH1A1CDK2HSD17B10SRCCTRB1
SCHEMBL8690288 0.69 MEN1 (0.59) ALDH1A1CDK2HSD17B10SRCCTRB1
SCHEMBL4605395 0.68 NMUR2 (0.49) ALDH1A1CDK2HSD17B10TDP1RECQL

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
EP-3857220-B1 METHOD, DEVICE AND INDICATOR FOR LOCALIZING DAMAGE BY OVERHEATING 4GENE GMBH (DE) 2023-01-18 — — EP disclosed
EP-4053328-A1 COMBINED BLEACHING TREATMENT FOR TEXTILES CHT Germany GmbH (DE) 2022-09-07 — — EP disclosed
Send feedback