SCHEMBL10070586

SCHEMBL10070586

Nc1cc(Cl)cc(NCCN2CCN(C(=O)C(Cl)(Cl)Cl)CC2)c1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
CACNA1H O95180 2/20 0.41
CYP2D6 P10635 2/20 0.41
KCNH2 Q12809 2/20 0.41
MAPT P10636 2/20 0.41
CNR1 P21554 3/20 0.37
PKM P14618 2/20 0.36
USP2 O75604 1/20 0.35
CACNA1I Q9P0X4 1/20 0.35
NPSR1 Q6W5P4 2/20 0.34
ENPP2 Q13822 1/20 0.34
ACKR3 P25106 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL10070604 0.86 KMT2A (0.42) KMT2AALDH1A1LMNACACNA1HCYP2D6
SCHEMBL10070588 0.76 ALDH1A1 (0.59) KMT2AALDH1A1LMNAMAPTPKM
SCHEMBL27905216 0.65 CYP3A4 (0.46) KMT2AALDH1A1CYP2D6MAPT
SCHEMBL34469442 0.62 TP53 (0.43) ALDH1A1KCNH2MAPT
SCHEMBL34470033 0.62 TP53 (0.43) ALDH1A1
SCHEMBL18570582 0.62 APP (0.43) LMNAMAPTSMN1; SMN2
SCHEMBL2010540 0.62 HRH3 (0.40) KMT2AALDH1A1CACNA1HMAPTNPSR1
SCHEMBL25243115 0.61 SMN1; SMN2 (0.37) KMT2AALDH1A1LMNAMAPTSMN1; SMN2
SCHEMBL626776 0.61 MAPT (0.44) KMT2ACACNA1HCYP2D6KCNH2MAPT
SCHEMBL4300945 0.61 NPSR1 (0.65) KMT2AALDH1A1LMNAMAPTPKM

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