SCHEMBL24733009

SCHEMBL24733009

Clc1nc2ccccc2c2c1ncn2Cc1cccc(CN2CCCC2)c1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAOB P27338 5/20 0.48
HTR6 P50406 4/20 0.45
ACP1 P24666 3/20 0.45
HTR1A P08908 1/20 0.42
HTR7 P34969 1/20 0.42
PRMT6 Q96LA8 1/20 0.41
SIGMAR1 Q99720 1/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
HPGD P15428 1/20 0.41
NCF1 P14598 1/20 0.41
MAPK1 P28482 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL29808930 1.00 MAOB (0.48) MAOBHTR6ACP1HTR1AHTR7
SCHEMBL29977341 0.91 MC4R (0.47) MAOBHTR6ACP1HTR1AHTR7
SCHEMBL29977138 0.88 MAOB (0.41) MAOBHTR6ACP1HTR1ASIGMAR1
SCHEMBL29977696 0.88 CACNB4 (0.46) PRMT6KDM4EALDH1A1LMNAMAPT
SCHEMBL29808887 0.87 TLR7 (0.54) MAOBHTR6PRMT6LMNA
SCHEMBL24732579 0.87 TLR7 (0.54) MAOBHTR6PRMT6LMNA
SCHEMBL9601993 0.86 CYP11B1 (0.50) LMNAMAPK1SMN1; SMN2
SCHEMBL29977856 0.85 METAP2 (0.40) HTR6PRMT6KDM4EALDH1A1LMNA
SCHEMBL24732850 0.84 HRH3 (0.50) MAOBHTR1ALMNAMAPTHPGD
SCHEMBL29809072 0.84 L3MBTL1 (0.46) MAOBHTR6MAPK1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114805341-B Aromatic heterocyclic compound, and preparation method and application thereof 上海翊石医药科技有限公司 2023-12-08 CN disclosed
WO-2022161420-A1 CLASS OF HETEROAROMATIC COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF 上海翊石医药科技有限公司 2022-08-04 WO disclosed
CN-114805341-A Aromatic heterocyclic compounds and preparation method and application thereof 上海翊石医药科技有限公司 2022-07-29 CN disclosed