SCHEMBL28720956

SCHEMBL28720956

CC(=O)c1cccc2c1ccn2C(=O)c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.55
TSHR P16473 1/20 0.55
RAB9A P51151 1/20 0.55
KMT2A Q03164 7/20 0.55
KDM4E B2RXH2 2/20 0.52
ALDH1A1 P00352 1/20 0.52
THRB P10828 1/20 0.52
CREBBP Q92793 2/20 0.46
NOTUM Q6P988 1/20 0.45
ALOX5 P09917 1/20 0.45
EP300 Q09472 1/20 0.44
PDCD1 Q15116 1/20 0.43
CD274 Q9NZQ7 1/20 0.43
MEN1 O00255 1/20 0.43
POLB P06746 2/20 0.42
P2RX4 Q99571 1/20 0.41
LMNA P02545 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL28721669 0.81 L3MBTL1 (0.58) L3MBTL1TSHRRAB9AKMT2AKDM4E
SCHEMBL10267835 0.79 TSHR (0.55) L3MBTL1TSHRRAB9AKMT2AKDM4E
SCHEMBL8685355 0.76 L3MBTL1 (0.55) L3MBTL1TSHRRAB9AKMT2AKDM4E
SCHEMBL31668328 0.76 L3MBTL1 (0.55) L3MBTL1TSHRRAB9AKMT2AKDM4E
SCHEMBL27810549 0.75 L3MBTL1 (0.51) L3MBTL1TSHRRAB9AKMT2AKDM4E
SCHEMBL1247821 0.75 TSHR (0.54) L3MBTL1TSHRRAB9AKMT2AKDM4E
SCHEMBL1692172 0.74 TSHR (0.50) L3MBTL1TSHRRAB9AKMT2AKDM4E
SCHEMBL3923460 0.74 TUBB4A (0.54) L3MBTL1KMT2AKDM4EALDH1A1CREBBP
SCHEMBL31435498 0.74 TSHR (0.53) L3MBTL1TSHRRAB9AKMT2AKDM4E
SCHEMBL30681378 0.74 L3MBTL1 (0.43) L3MBTL1KMT2ACREBBPNOTUMMEN1

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-114394923-B Preparation method of N-acyl-2-alkyl indoline compound 浙江工业大学 2024-02-06 CN disclosed
CN-114394923-A Preparation method of N-acyl-2-alkyl indoline compound 浙江工业大学 2022-04-26 CN disclosed