SCHEMBL17040434

SCHEMBL17040434

c1ccc(CCNc2ccc(-c3ccccc3)cc2)cc1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.73
FFAR1 O14842 4/20 0.51
FFAR4 Q5NUL3 2/20 0.51
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
ALDH1A1 P00352 2/20 0.48
ATM Q13315 1/20 0.48
TAAR1 Q96RJ0 1/20 0.48
NPC1 O15118 1/20 0.48
KDM1A O60341 1/20 0.48
LMNA P02545 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
HTR1A P08908 1/20 0.48
ADRA2A P08913 1/20 0.48
CYP2C8 P10632 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C9 P11712 1/20 0.48
IDO1 P14902 1/20 0.48
TSHR P16473 1/20 0.48

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
SCHEMBL11653014 0.91 L3MBTL1 (0.86) L3MBTL1FFAR1FFAR4MEN1KMT2A
SCHEMBL24152726 0.87 L3MBTL1 (0.56) L3MBTL1FFAR1FFAR4NPC1RAB9A
SCHEMBL21186859 0.87 L3MBTL1 (0.95) L3MBTL1MEN1KMT2AALDH1A1ATM
SCHEMBL24375975 0.87 L3MBTL1 (0.95) L3MBTL1MEN1KMT2AALDH1A1ATM
SCHEMBL88597 0.87 L3MBTL1 (0.95) L3MBTL1MEN1KMT2AALDH1A1ATM
SCHEMBL28511931 0.86 SIGMAR1 (0.55) L3MBTL1FFAR1FFAR4KMT2AALDH1A1
Hydrochloric Acid SCHEMBL8746161 0.85 L3MBTL1 (1.00) L3MBTL1MEN1KMT2AALDH1A1ATM
SCHEMBL8874370 0.83 F2 (0.64) L3MBTL1FFAR1FFAR4LMNARAB9A
SCHEMBL3910280 0.83 L3MBTL1 (0.73) L3MBTL1MEN1KMT2AALDH1A1ATM
SCHEMBL24641654 0.83 L3MBTL1 (0.73) L3MBTL1FFAR1FFAR4ALDH1A1ATM

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-112321436-B Method for synthesizing heteroatom-substituted aromatic compound from styrene compound 北京大学 2021-12-28 CN disclosed
CN-112321436-A Method for synthesizing heteroatom-substituted aromatic compound from styrene compound 北京大学 2021-02-05 CN disclosed
WO-2015124233-A1 COSMETIC OR DERMATOLOGICAL PREPARATIONS CONTAINING ONE OR MORE DIPHENYLAMINE DERIVATIVES, AND USE OF ONE OR MORE DIPHENYLAMINE DERIVATIVES FOR TANNING THE SKIN BEIERSDORF AG (DE) 2015-08-27 WO disclosed