SCHEMBL7995644

SCHEMBL7995644

CCCCN(C=[N])CCCC

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 3/20 0.33
TSHR P16473 2/20 0.33
LMNA P02545 1/20 0.33
CA12 O43570 3/20 0.32
CA1 P00915 3/20 0.32
CA9 Q16790 3/20 0.32
ALDH1A1 P00352 1/20 0.32
ALDH2 P05091 1/20 0.32
THRB P10828 1/20 0.32
MMP1 P03956 1/20 0.30
MMP2 P08253 1/20 0.30
MMP3 P08254 1/20 0.30
MMP8 P22894 1/20 0.30
CA2 P00918 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
SCHEMBL7992150 0.81
SCHEMBL22472335 0.75 TSHR (0.38) DNM1TSHRLMNACA12CA1
SCHEMBL182250 0.73 TSHR (0.35) DNM1TSHRLMNACA12CA1
SCHEMBL9485027 0.72 CA12 (0.34) DNM1TSHRLMNACA12CA1
SCHEMBL5419798 0.71 DNM1 (0.33) DNM1TSHRLMNACA12CA1
SCHEMBL153655 0.71 TSHR (0.41) DNM1TSHRLMNACA12CA1
SCHEMBL26772 0.71 TSHR (0.41) DNM1TSHRLMNACA12CA1
SCHEMBL19520464 0.71 TSHR (0.35) DNM1TSHRLMNACA12CA1
SCHEMBL1058152 0.71 DNM1 (0.33) DNM1TSHRLMNACA12CA1
SCHEMBL292378 0.71 DNM1 (0.33) DNM1TSHRLMNACA12CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2001017977-A1 1,3,5-TRIAZINES AS HERBICIDES NIHON BAYER AGROCHEM K.K. (JP) 2001-03-15 WO disclosed