SCHEMBL30168198

SCHEMBL30168198

CN(C)CCCN1CCN(S(=O)(=O)c2ccc(Br)cc2Cl)CC1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ TRPV4 Q9HBA0 1/20 0.44
▸ MEN1 O00255 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ PKM P14618 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ KDM4E B2RXH2 3/20 0.41
▸ ABL1 P00519 1/20 0.41
▸ RIN1 Q13671 1/20 0.41
▸ ALDH1A1 P00352 2/20 0.40
▸ LMNA P02545 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ MAPT P10636 1/20 0.39
▸ GAA P10253 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
SCHEMBL30371499 0.88 SMN1; SMN2 (0.47) MEN1KMT2APKML3MBTL1ALDH1A1
SCHEMBL4244000 0.79 L3MBTL1 (0.64) MEN1KMT2APKML3MBTL1ABL1
SCHEMBL15010830 0.74 TSHR (0.62) MEN1KMT2APKML3MBTL1KDM4E
SCHEMBL5307150 0.73 ALDH1A1 (0.57) L3MBTL1ALDH1A1LMNAMAPTGAA
SCHEMBL2963400 0.72 ABL1 (0.52) TRPV4MEN1KMT2APKML3MBTL1
SCHEMBL30228776 0.68 ALDH1A1 (0.51) MEN1KMT2AALDH1A1LMNAMAPT
SCHEMBL15218459 0.68 KDM1A (0.40) KDM4EALDH1A1TDP1
SCHEMBL20489103 0.68 ALDH1A1 (0.51) MEN1KMT2AALDH1A1LMNAMAPT
SCHEMBL3407131 0.68 L3MBTL1 (0.64) KMT2AL3MBTL1KDM4EALDH1A1LMNA
SCHEMBL24512344 0.68 ALDH1A1 (0.58) MEN1KMT2AKDM4EALDH1A1LMNA

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-115667264-A Novel imidazo-pyrazine derivatives 豪夫迈·罗氏有限公司 2023-01-31 — — CN disclosed
Send feedback