SCHEMBL9789568

SCHEMBL9789568

CCOc1nc(Cl)nc(NCCCCCCNc2nc(Cl)nc(OCC)n2)n1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.54
MAPT P10636 3/20 0.50
HTT P42858 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
HPGD P15428 1/20 0.47
LMNA P02545 1/20 0.44
POLB P06746 2/20 0.43
MEN1 O00255 1/20 0.42
CYP1A2 P05177 1/20 0.42
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
CA9 Q16790 2/20 0.41
KDM4E B2RXH2 1/20 0.40
NFKB1 P19838 1/20 0.40
ALDH1A1 P00352 1/20 0.39
NR1I2 O75469 1/20 0.38
AHR P35869 1/20 0.38

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
SCHEMBL9789554 1.00 KMT2A (0.54) KMT2AMAPTHTTNPSR1HPGD
SCHEMBL17564599 0.85 HPGD (0.46) KMT2AMAPTHTTNPSR1HPGD
SCHEMBL20740702 0.84 KMT2A (0.60) KMT2AMAPTHTTNPSR1LMNA
SCHEMBL9528412 0.84 LMNA (0.64) KMT2AMAPTHTTHPGDLMNA
SCHEMBL9789561 0.83 KMT2A (0.53) KMT2ALMNACYP1A2CA1CA2
SCHEMBL9789558 0.83 KMT2A (0.53) KMT2ALMNACYP1A2CA1CA2
SCHEMBL9789563 0.83 KMT2A (0.53) KMT2ALMNACYP1A2CA1CA2
SCHEMBL9529831 0.79 POLB (0.47) KMT2AMAPTHPGDLMNAPOLB
SCHEMBL140123 0.78 KMT2A (0.61) KMT2ALMNACA1CA2CA9
SCHEMBL1562316 0.77 KMT2A (0.77) KMT2ALMNANR1I2AHR

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4985539-A Fibers, Films HIMONT ITALIA S.R.L. (IT) 1991-01-15 US claimed
EP-0380017-A2 A process for the preparation of triazinic polymers HIMONT ITALIA S.r.l. (IT) 1990-08-01 EP claimed
EP-0337133-A1 Liquid-crystalline, thermotropic polymers of di-s-triazines HIMONT ITALIA S.r.l. (IT) 1989-10-18 EP claimed
EP-0380017-A2 A process for the preparation of triazinic polymers HIMONT ITALIA S.r.l. (IT) 1990-08-01 EP disclosed