SCHEMBL27520403

SCHEMBL27520403

O=CC1C(Br)=CC(c2ccccn2)=CN1c1ccccn1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.33
LMNA P02545 1/20 0.33
CYP1A2 P05177 1/20 0.33
POLB P06746 1/20 0.33
CCR1 P32246 1/20 0.33
CCR5 P51681 1/20 0.33
CCR8 P51685 1/20 0.33
METAP1 P53582 1/20 0.33
BLM P54132 1/20 0.33
HIF1A Q16665 1/20 0.33
DOHH Q9BU89 1/20 0.33
P4HTM Q9NXG6 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.31
CHRM2 P08172 1/20 0.31
CHRM4 P08173 1/20 0.31
CHRM5 P08912 1/20 0.31
CHRM1 P11229 1/20 0.31
CHRM3 P20309 1/20 0.31
EP300 Q09472 1/20 0.30
KAT2B Q92831 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
SCHEMBL27521261 0.87 KDM4E (0.33) KDM4ELMNACYP1A2POLBCCR1
SCHEMBL27502864 0.82 CYP2A6 (0.40) KDM4ESMN1; SMN2
SCHEMBL27529595 0.80 SMN1; SMN2 (0.36) KDM4ELMNAPOLBSMN1; SMN2KMT2A
SCHEMBL27504605 0.77 GRIA1 (0.41) KMT2A
SCHEMBL27504281 0.77 ALDH1A1 (0.36) KDM4ELMNACYP1A2POLBCCR1
SCHEMBL27520393 0.74 KDM4E (0.34) KDM4ELMNACYP1A2POLBCCR1
SCHEMBL27520392 0.73 CHRM2 (0.37) KDM4ELMNACYP1A2POLBCCR1
SCHEMBL27562064 0.72 KDM4E (0.33) KDM4ELMNACYP1A2POLBCCR1
SCHEMBL27537622 0.71 CHRM2 (0.33) KDM4ELMNACYP1A2POLBCCR1
SCHEMBL27503537 0.71 GRM5 (0.35) KDM4ELMNACYP1A2POLBCCR1

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
CN-1245386-C 1, 2-dihydropyridine compound, preparation method and application thereof EISAI CO LTD (JP) 2006-03-15 CN disclosed
CN-1436172-A 1, 2-dihydropyridine compound, preparation method and application thereof EISAI CO LTD (JP) 2003-08-13 CN disclosed