SCHEMBL2905322

SCHEMBL2905322

O=C1Cc2ccc3ccccc3c2N1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AHR P35869 2/20 0.49
PDK2 Q15119 1/20 0.46
HSD17B10 Q99714 2/20 0.43
TDP2 O95551 2/20 0.43
CASP3 P42574 1/20 0.43
CASP7 P55210 1/20 0.43
CASP9 P55211 1/20 0.43
CASP6 P55212 1/20 0.43
CASP8 Q14790 1/20 0.43
MAP3K14 Q99558 1/20 0.43
LMNA P02545 1/20 0.43
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA4 P22748 1/20 0.42
CA7 P43166 1/20 0.42
CA9 Q16790 1/20 0.42
P2RX4 Q99571 2/20 0.42
ANPEP P15144 1/20 0.41
PAX8 Q06710 1/20 0.39

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
SCHEMBL28986962 0.85 NPC1 (0.59) AHRPDK2HSD17B10TDP2CASP3
SCHEMBL6722121 0.84 NPC1 (0.47) HSD17B10LMNACA12CA1CA2
SCHEMBL7323916 0.84 ANPEP (0.41) AHRPDK2HSD17B10LMNACA12
SCHEMBL16254014 0.80 HSD17B10 (0.46) AHRPDK2HSD17B10LMNACA12
SCHEMBL29616441 0.80 HSD17B10 (0.46) AHRPDK2HSD17B10LMNACA12
Hydrochloric Acid SCHEMBL30929177 0.79 HSD17B10 (0.45) AHRPDK2HSD17B10LMNACA12
SCHEMBL636014 0.79 TDP2 (0.51) AHRPDK2TDP2CASP3CASP7
SCHEMBL10723285 0.78 ALDH1A1 (0.39) HSD17B10CA12CA1CA2CA4
SCHEMBL18289475 0.77 AHR (0.59) AHRPDK2TDP2CASP3CASP7
SCHEMBL31602046 0.76 NPC1 (0.44) AHRPDK2HSD17B10CA12CA1

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114507212-B Benzoindoline-dihydroquinolinone derivative fluorescent probe and preparation method and application thereof 河南理工大学 2023-03-24 CN claimed
EP-1999166-B2 MODIFIED WAXES, A PROCESS FOR THEIR PREPARATION, AND THEIR USE CLARIANT INT LTD (CH) 2016-09-21 EP claimed
US-8765848-B2 Modified waxes, a process for their preparation, and their use CLARIANT FINANCE (BVI) LIMITED (VG) 2014-07-01 US claimed
US-20100286319-A1 Modified Waxes, a Process for Their Preparation, and Their Use CLARIANT FINANCE (BVI) LIMITED (VG) 2010-11-11 US claimed
EP-1999166-B1 MODIFIED WAXES, A PROCESS FOR THEIR PREPARATION, AND THEIR USE CLARIANT FINANCE BVI LTD (VG) 2010-05-19 EP claimed
EP-1999166-B2 MODIFIED WAXES, A PROCESS FOR THEIR PREPARATION, AND THEIR USE CLARIANT INT LTD (CH) 2016-09-21 EP disclosed
US-8765848-B2 Modified waxes, a process for their preparation, and their use CLARIANT FINANCE (BVI) LIMITED (VG) 2014-07-01 US disclosed
US-20100286319-A1 Modified Waxes, a Process for Their Preparation, and Their Use CLARIANT FINANCE (BVI) LIMITED (VG) 2010-11-11 US disclosed
EP-1999166-B1 MODIFIED WAXES, A PROCESS FOR THEIR PREPARATION, AND THEIR USE CLARIANT FINANCE BVI LTD (VG) 2010-05-19 EP disclosed