SCHEMBL9789563

SCHEMBL9789563

COc1nc(Cl)nc(NCCCCCCCCCCCCNc2nc(Cl)nc(OC)n2)n1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.53
CYP1A2 P05177 1/20 0.50
CYP2C19 P33261 1/20 0.50
LMNA P02545 2/20 0.42
TSHR P16473 1/20 0.41
ALDH1A1 P00352 2/20 0.40
RAB9A P51151 2/20 0.40
GAA P10253 1/20 0.39
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA9 Q16790 1/20 0.38
EGFR P00533 1/20 0.37
NPC1 O15118 1/20 0.37
NR1I2 O75469 1/20 0.36
AHR P35869 1/20 0.36

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
SCHEMBL9789558 1.00 KMT2A (0.53) KMT2ACYP1A2CYP2C19LMNATSHR
SCHEMBL9789561 1.00 KMT2A (0.53) KMT2ACYP1A2CYP2C19LMNATSHR
SCHEMBL8367694 0.84 CYP1A2 (0.49) KMT2ACYP1A2CYP2C19LMNATSHR
SCHEMBL28999683 0.84 CYP1A2 (0.49) KMT2ACYP1A2CYP2C19LMNATSHR
SCHEMBL10352747 0.84 KMT2A (0.43) KMT2ACYP1A2CYP2C19LMNATSHR
SCHEMBL9789554 0.83 KMT2A (0.54) KMT2ACYP1A2LMNAALDH1A1CA1
SCHEMBL9789568 0.83 KMT2A (0.54) KMT2ACYP1A2LMNAALDH1A1CA1
SCHEMBL28946232 0.82 CYP1A2 (0.41) KMT2ACYP1A2CYP2C19LMNATSHR
SCHEMBL9528867 0.81 LMNA (0.67) KMT2ACYP1A2CYP2C19LMNAGAA
SCHEMBL28999684 0.81 CYP1A2 (0.40) KMT2ACYP1A2CYP2C19LMNATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-4985539-A Fibers, Films HIMONT ITALIA S.R.L. (IT) 1991-01-15 US disclosed
US-4942233-A LIQUID CRYSTALS MONTEDISON S.P.A. (IT) 1990-07-17 US disclosed
EP-0337133-A1 Liquid-crystalline, thermotropic polymers of di-s-triazines HIMONT ITALIA S.r.l. (IT) 1989-10-18 EP disclosed