SCHEMBL8673497

SCHEMBL8673497

CCC(N)CC(CC)Cc1ccccc1C(N)=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ IRAK4 Q9NWZ3 1/20 0.36
▸ MAPT P10636 2/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ KDM4E B2RXH2 2/20 0.36
▸ HPGD P15428 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ MEN1 O00255 3/20 0.35
▸ KMT2A Q03164 3/20 0.35
▸ CYP3A4 P08684 2/20 0.35
▸ HTT P42858 1/20 0.35
▸ NR1I2 O75469 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ CHRM2 P08172 1/20 0.35
▸ ADRA2A P08913 1/20 0.35
▸ OPRK1 P41145 1/20 0.35
▸ HTR2B P41595 1/20 0.35
▸ SLC6A3 Q01959 1/20 0.35
▸ HDAC6 Q9UBN7 1/20 0.35
▸ CA2 P00918 1/20 0.35

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
SCHEMBL7121695 0.88 ALDH1A1 (0.42) IRAK4MAPTALDH1A1KDM4EHPGD
SCHEMBL28242836 0.82 ALDH1A1 (0.42) IRAK4MAPTALDH1A1KDM4EHPGD
SCHEMBL27700923 0.76 IRAK4 (0.45) IRAK4MAPTALDH1A1KDM4EHPGD
SCHEMBL17374631 0.76 IRAK4 (0.47) IRAK4MAPTALDH1A1KDM4EHPGD
SCHEMBL42307 0.74 BCAT2 (0.43) IRAK4MAPTALDH1A1KDM4EHPGD
SCHEMBL7459500 0.74 BCAT2 (0.43) IRAK4MAPTALDH1A1KDM4EHPGD
SCHEMBL42306 0.74 BCAT2 (0.43) IRAK4MAPTALDH1A1KDM4EHPGD
SCHEMBL1002816 0.74 HTT (0.50) IRAK4MAPTALDH1A1KDM4EHPGD
SCHEMBL27681648 0.73 CYP3A4 (0.51) MAPTALDH1A1KDM4ETSHRHSD17B10
Hydrochloric Acid SCHEMBL5706571 0.73 BCAT2 (0.42) IRAK4MAPTALDH1A1KDM4EHPGD

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
US-5801244-A AMIDOPHENYLAMINOTRIAZINE COMPOUNDS 3V INC. (US) 1998-09-01 — — US disclosed
EP-0796851-A1 S-Triazine derivatives as sunscreen agents 3V SIGMA S.p.A (IT) 1997-09-24 — — EP disclosed
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