SCHEMBL30744447

SCHEMBL30744447

NCc1ccc(Oc2ccc(F)cc2)nc1

nearest known ligand 0.63

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.63
KMT2A Q03164 2/20 0.63
KDM4E B2RXH2 1/20 0.63
L3MBTL1 Q9Y468 2/20 0.58
ALDH1A1 P00352 1/20 0.58
MAOB P27338 6/20 0.53
HSPB1 P04792 1/20 0.51
LOXL2 Q9Y4K0 3/20 0.48
MLNR O43193 1/20 0.46
CYP2D6 P10635 1/20 0.46
HTT P42858 1/20 0.44
ST14 Q9Y5Y6 1/20 0.43
EGLN1 Q9GZT9 1/20 0.40
MMP13 P45452 1/20 0.40
OPRM1 P35372 1/20 0.40
OPRD1 P41143 1/20 0.40
OPRK1 P41145 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
SCHEMBL4380974 1.00 MEN1 (0.63) MEN1KMT2AKDM4EL3MBTL1ALDH1A1
SCHEMBL8541822 0.83 KDM4E (0.58) MEN1KMT2AKDM4EL3MBTL1ALDH1A1
SCHEMBL20771833 0.83 MAOB (0.51) MEN1KMT2AKDM4EALDH1A1MAOB
SCHEMBL6162263 0.83 RAB9A (0.48) MEN1KMT2AKDM4EL3MBTL1ALDH1A1
SCHEMBL9045204 0.83 MAOB (0.53) MEN1KMT2AKDM4EL3MBTL1MAOB
SCHEMBL24570677 0.83 MEN1 (0.58) MEN1KMT2AKDM4EL3MBTL1ALDH1A1
SCHEMBL12967186 0.83 MEN1 (0.58) MEN1KMT2AKDM4EL3MBTL1ALDH1A1
SCHEMBL6160873 0.83 LOXL2 (0.58) ALDH1A1MAOBLOXL2HTTMMP13
SCHEMBL27299802 0.83 MAP4K4 (0.46) MEN1KMT2AKDM4EL3MBTL1ALDH1A1
SCHEMBL27299560 0.81 MAOB (0.50) MEN1KMT2AKDM4EL3MBTL1ALDH1A1

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-119866333-A KIT inhibitors, compounds, pharmaceutical compositions, and methods of use thereof 亚力维克希斯股份有限公司 2025-04-22 CN disclosed
CN-112218865-B Pteridinone compounds and uses thereof 沃泰克斯药物股份有限公司 2024-03-12 CN disclosed