SCHEMBL11498670

SCHEMBL11498670

C=C(Cn1cnc2ccccc21)NC

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.56
▸ NPC1 O15118 1/20 0.56
▸ TDP1 Q9NUW8 1/20 0.54
▸ SMN1; SMN2 Q16637 4/20 0.51
▸ LMNA P02545 3/20 0.51
▸ L3MBTL1 Q9Y468 1/20 0.51
▸ CYP3A4 P08684 1/20 0.50
▸ CYP2D6 P10635 1/20 0.50
▸ CYP2C9 P11712 1/20 0.50
▸ CYP2C19 P33261 1/20 0.50
▸ HTT P42858 3/20 0.49
▸ CYP11B1 P15538 4/20 0.49
▸ CYP11B2 P19099 4/20 0.49
▸ TNF P01375 1/20 0.49
▸ APAF1 O14727 1/20 0.48
▸ EGLN3 Q9H6Z9 1/20 0.48
▸ ALPL P05186 1/20 0.47
▸ ALPI P09923 1/20 0.47
▸ ALPG P10696 1/20 0.47
▸ PLAA Q9Y263 1/20 0.47

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
SCHEMBL2882482 0.82 TDP1 (0.59) KDM4ENPC1TDP1SMN1; SMN2LMNA
SCHEMBL11451676 0.81 KDM4E (0.56) KDM4ENPC1TDP1SMN1; SMN2LMNA
SCHEMBL7160203 0.80 TDP1 (0.61) KDM4ENPC1TDP1SMN1; SMN2LMNA
SCHEMBL26818584 0.79 KDM4E (0.60) KDM4ENPC1TDP1SMN1; SMN2LMNA
SCHEMBL7732690 0.79 TDP1 (0.59) KDM4ENPC1TDP1SMN1; SMN2LMNA
SCHEMBL27864830 0.78 TDP1 (0.63) KDM4ENPC1TDP1SMN1; SMN2LMNA
SCHEMBL8017568 0.76 TDP1 (0.56) KDM4ENPC1TDP1SMN1; SMN2LMNA
SCHEMBL226221 0.76 TDP1 (0.70) TDP1SMN1; SMN2LMNAL3MBTL1HTT
SCHEMBL10881570 0.76 KDM4E (0.65) KDM4ENPC1TDP1SMN1; SMN2LMNA
SCHEMBL11450999 0.75 KDM4E (0.56) KDM4ENPC1TDP1SMN1; SMN2LMNA

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
US-4209583-A AMIDINE COMPOUND AGFA-GEVAERT, A.G. (DE) 1980-06-24 — — US disclosed
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