SCHEMBL8026166

SCHEMBL8026166

CCNC1Cc2ccccc2O1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 6/20 0.40
AOC2 O75106 5/20 0.40
MAOA P21397 5/20 0.40
DAO P14920 1/20 0.40
CHRM2 P08172 2/20 0.39
CHRM4 P08173 2/20 0.39
CHRM5 P08912 2/20 0.39
CHRM1 P11229 2/20 0.39
CHRM3 P20309 2/20 0.39
HRH3 Q9Y5N1 1/20 0.37
HPGD P15428 1/20 0.36
TSHR P16473 1/20 0.36
TP53 P04637 1/20 0.36
HDAC3 O15379 1/20 0.35
HDAC4 P56524 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC7 Q8WUI4 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC10 Q969S8 1/20 0.35
HDAC11 Q96DB2 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
SCHEMBL10460787 0.86 SIGMAR1 (0.42) MAOBAOC2MAOADAODRD2
SCHEMBL8036576 0.82 CA2 (0.46) DRD2DRD4DRD3CA2
SCHEMBL4380806 0.79 CHRM2 (0.41) MAOBAOC2MAOADAOCHRM2
SCHEMBL9827510 0.77 HRH3 (0.47) MAOBAOC2MAOADAOCHRM2
Hydrochloric Acid SCHEMBL19458694 0.77 MAOB (0.41) MAOBAOC2MAOADAOCHRM2
SCHEMBL9826111 0.76 HTR1D (0.41) MAOBCHRM1HRH3ADORA3DRD2
SCHEMBL9827137 0.76 AKR1B1 (0.37) HRH3TP53CA2
SCHEMBL27581667 0.75 MAOB (0.42) MAOBAOC2MAOADAOCHRM2
SCHEMBL21001508 0.74 KDM1A (0.49) MAOBMAOAHPGDTSHR
SCHEMBL9826350 0.74 DRD2 (0.44) MAOBHRH3ARCYP19A1DRD2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2000076990-A1 NEW COMPOUNDS ASTRAZENECA AB (SE) 2000-12-21 WO disclosed
EP-0283522-B1 TRIAZINE DERIVATIVE, PRODUCTION THEREOF, AND HERBICIDE CONTAINING SAME AS EFFECTIVE INGREDIENT IDEMITSU KOSAN COMPANY LIMITED (JP) 1991-02-27 EP disclosed
US-4932998-A LOW PHYTOTOXICITY FOR PADDY RICE PLANTS IDEMITSU KOSAN COMPANY LIMITED (JP) 1990-06-12 US disclosed
EP-0283522-A1 TRIAZINE DERIVATIVE, PRODUCTION THEREOF, AND HERBICIDE CONTAINING SAME AS EFFECTIVE INGREDIENT IDEMITSU KOSAN COMPANY LIMITED (JP) 1988-09-28 EP disclosed