SCHEMBL28897005

SCHEMBL28897005

CC1=NN(c2cc(C)ccc2C)C(C=O)C1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD17B10 Q99714 2/20 0.41
▸ MEN1 O00255 4/20 0.40
▸ KMT2A Q03164 4/20 0.40
▸ TSHR P16473 2/20 0.40
▸ TERT O14746 1/20 0.39
▸ FFAR4 Q5NUL3 1/20 0.39
▸ ALDH1A1 P00352 3/20 0.39
▸ HTT P42858 1/20 0.39
▸ MAPT P10636 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ ALOX12 P18054 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ SLC18A3 Q16572 1/20 0.35
▸ CA12 O43570 1/20 0.35
▸ CA1 P00915 1/20 0.35
▸ CA2 P00918 1/20 0.35
▸ CA9 Q16790 1/20 0.35
▸ POLB P06746 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.34

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
SCHEMBL28207258 0.78 TSHR (0.36) MEN1KMT2ATSHRALDH1A1HTT
SCHEMBL28158503 0.76 TERT (0.35) KMT2ATSHRTERTFFAR4ALDH1A1
SCHEMBL27732171 0.73 TERT (0.40) HSD17B10MEN1KMT2ATSHRTERT
SCHEMBL25178380 0.72 MAPT (0.48) MEN1KMT2ATSHRTERTALDH1A1
SCHEMBL27712033 0.70 MAPT (0.38) MEN1KMT2ATERTALDH1A1HTT
SCHEMBL27369841 0.70 ALDH1A1 (0.43) MEN1KMT2ATERTALDH1A1HTT
SCHEMBL27995307 0.69 TERT (0.36) MEN1KMT2ATERTSMN1; SMN2
SCHEMBL27995323 0.69 TERT (0.34) TSHRTERTALDH1A1HTTMAPT
SCHEMBL29018666 0.68 NR3C2 (0.41) ALDH1A1HTTMAPTSMN1; SMN2POLB
SCHEMBL27447779 0.68 CD274 (0.46) HSD17B10MEN1KMT2ATERTALDH1A1

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-111440181-A Dipyrazolo seven-membered oxygen heterocyclic compound containing quinoline structure and synthetic method thereof 烟台大学 2020-07-24 — — CN disclosed
Send feedback