SCHEMBL8625067

SCHEMBL8625067

CN(C)c1ncccc1N=C(NC#N)Oc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.49
HTT P42858 2/20 0.36
P2RX3 P56373 1/20 0.34
ALDH1A1 P00352 5/20 0.33
MEN1 O00255 2/20 0.33
P2RX7 Q99572 1/20 0.33
HPGD P15428 1/20 0.33
KDM4E B2RXH2 3/20 0.33
LMNA P02545 2/20 0.33
CYP1A2 P05177 1/20 0.33
POLB P06746 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
PKM P14618 1/20 0.33
ALOX12 P18054 1/20 0.33
CYP2C19 P33261 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
GLA P06280 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL6359120 0.82 KMT2A (0.50) KMT2AHTTP2RX3ALDH1A1MEN1
SCHEMBL6359121 0.82 KMT2A (0.50) KMT2AHTTP2RX3ALDH1A1MEN1
SCHEMBL4781020 0.77 KMT2A (0.58) KMT2AP2RX3MEN1P2RX7CYP2C9
SCHEMBL4781017 0.77 KMT2A (0.58) KMT2AP2RX3MEN1P2RX7CYP2C9
SCHEMBL11244923 0.75 KMT2A (0.59) KMT2AHTTP2RX3MEN1P2RX7
SCHEMBL2086875 0.75 KMT2A (0.56) KMT2AP2RX3ALDH1A1P2RX7HPGD
SCHEMBL2086872 0.75 KMT2A (0.56) KMT2AP2RX3ALDH1A1P2RX7HPGD
SCHEMBL11174716 0.74 KMT2A (0.58) KMT2AP2RX3ALDH1A1LMNACYP3A4
SCHEMBL7356086 0.74 KMT2A (0.58) KMT2AHTTP2RX3ALDH1A1MEN1
SCHEMBL8625066 0.74 HTT (0.39) KMT2AHTTALDH1A1MEN1P2RX7

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
EP-0741708-B1 CYANOGUANIDINES AS K-CHANNEL BLOCKERS UPJOHN CO (US) 1998-05-20 EP disclosed
US-5668157-A Cyanoguanidines as K-channel blockers PHARMACIA & UPJOHN COMPANY (US) 1997-09-16 US disclosed