SCHEMBL10070604

SCHEMBL10070604

NCc1cc(Cl)cc(NCCN2CCN(C(=O)C(Cl)(Cl)Cl)CC2)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.42
ALDH1A1 P00352 2/20 0.42
LMNA P02545 1/20 0.42
MAPT P10636 3/20 0.39
CACNA1H O95180 1/20 0.38
CYP2D6 P10635 1/20 0.38
KCNH2 Q12809 1/20 0.38
ENPP2 Q13822 2/20 0.37
PKM P14618 2/20 0.35
NPSR1 Q6W5P4 1/20 0.35
USP2 O75604 2/20 0.34
SIGMAR1 Q99720 2/20 0.34
KDM4E B2RXH2 1/20 0.33
NPC1 O15118 1/20 0.33
TSHR P16473 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
ACKR3 P25106 1/20 0.33
CNR1 P21554 1/20 0.33
FAAH O00519 1/20 0.33

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
SCHEMBL10070586 0.86 KMT2A (0.41) KMT2AALDH1A1LMNAMAPTCACNA1H
SCHEMBL10070588 0.69 ALDH1A1 (0.59) KMT2AALDH1A1LMNAMAPTPKM
SCHEMBL626776 0.64 MAPT (0.44) KMT2AMAPTCACNA1HCYP2D6KCNH2
SCHEMBL15795578 0.62 ENPP2 (0.56) KMT2AALDH1A1LMNAMAPTKCNH2
SCHEMBL15795552 0.60 ENPP2 (0.58) KCNH2ENPP2SIGMAR1
SCHEMBL10070602 0.60 PDK1 (0.40) KMT2AALDH1A1MAPTKDM4ESMN1; SMN2
SCHEMBL10071127 0.60 TACR1 (0.39) KMT2AMAPTCYP2D6TSHRMEN1
SCHEMBL4300945 0.59 NPSR1 (0.65) KMT2AALDH1A1LMNAMAPTPKM
SCHEMBL15795739 0.59 ENPP2 (0.60) CACNA1HCYP2D6KCNH2ENPP2SIGMAR1
SCHEMBL4302256 0.59 MAPT (0.63) KMT2AALDH1A1MAPTCACNA1HCYP2D6

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-2012020221-A1 COMPOUNDS NOVACTA BIOSYSTEMS LIMITED (GB) 2012-02-16 WO disclosed