SCHEMBL10368237

SCHEMBL10368237

CC(C=O)c1occ2ccccc12

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
PTPN1 P18031 3/20 0.34
POLB P06746 2/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
MAOA P21397 1/20 0.32
MAOB P27338 1/20 0.32
GAA P10253 2/20 0.30
DAO P14920 1/20 0.30
ERN1 O75460 1/20 0.30
LMNA P02545 1/20 0.30
KDM4E B2RXH2 1/20 0.30

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
SCHEMBL15780712 0.79 CYP2A6 (0.35) CYP1A2CYP2C9CYP2C19GAALMNA
SCHEMBL5545955 0.78 CYP1A2 (0.36) MAPTCYP1A2CYP2C9CYP2C19PTPN1
SCHEMBL3983731 0.76 SLC6A2 (0.37)
SCHEMBL2961435 0.76 UGT2B7 (0.38) MAPTCYP1A2MEN1KMT2AGAA
SCHEMBL11195352 0.74 AKR1B1 (0.44) MAPTCYP1A2CYP2C9CYP2C19POLB
SCHEMBL13134411 0.73 TSHR (0.37) MAPTMEN1KMT2ALMNAKDM4E
SCHEMBL11027796 0.71 CYP2D6 (0.37) MAPTCYP1A2CYP2C19MEN1KMT2A
SCHEMBL27610609 0.71
SCHEMBL27666074 0.69 GPR84 (0.32) MAPT
SCHEMBL4413662 0.69 CTSD (0.38) MAPTPOLBMEN1KMT2AGAA

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
EP-0216259-B1 TRIAZINE DERIVATIVES, A PROCESS FOR PREPARATION OF THE DERIVATIVES, AND HERBICIDES CONTAINING THE DERIVATIVES AS THE EFFECTIVE COMPONENT IDEMITSU KOSAN COMPANY LIMITED (JP) 1990-02-28 EP disclosed
US-4740230-A Triazine derivatives, and herbicides containing the derivatives as the effective component IDEMITSU KOSAN COMPANY LIMITED (JP) 1988-04-26 US disclosed
EP-0216259-A1 Triazine derivatives, a process for preparation of the derivatives, and herbicides containing the derivatives as the effective component IDEMITSU KOSAN COMPANY LIMITED (JP) 1987-04-01 EP disclosed