SCHEMBL20680484

SCHEMBL20680484

CCCCCCCCCCCCCCCCCNc1nc(Cl)nc(NCCC)n1

nearest known ligand 0.78

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.78
NR1I2 O75469 1/20 0.55
AHR P35869 1/20 0.55
LMNA P02545 1/20 0.53
KCNH3 Q9ULD8 2/20 0.50
PKM P14618 1/20 0.50
RAD52 P43351 1/20 0.50
DNM2 P50570 7/20 0.46
CYP1A2 P05177 1/20 0.43
CYP2C19 P33261 1/20 0.43
ESR1 P03372 1/20 0.42
ESR2 Q92731 1/20 0.42

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
SCHEMBL7862893 0.96 KMT2A (0.83) KMT2ANR1I2AHRLMNAKCNH3
SCHEMBL11787843 0.96 KMT2A (0.83) KMT2ANR1I2AHRLMNAKCNH3
SCHEMBL20694824 0.94 KMT2A (0.81) KMT2ANR1I2AHRLMNAKCNH3
SCHEMBL7100653 0.94 KMT2A (0.80) KMT2ANR1I2AHRLMNAKCNH3
SCHEMBL7937257 0.92 KMT2A (0.77) KMT2ANR1I2AHRLMNAKCNH3
SCHEMBL17563553 0.92 KMT2A (0.77) KMT2ANR1I2AHRLMNAKCNH3
SCHEMBL10912439 0.92 KMT2A (0.77) KMT2ANR1I2AHRLMNAKCNH3
SCHEMBL2238412 0.92 KMT2A (0.77) KMT2ANR1I2AHRLMNAKCNH3
SCHEMBL1562316 0.92 KMT2A (0.77) KMT2ANR1I2AHRLMNAKCNH3
SCHEMBL2328267 0.92 KMT2A (0.77) KMT2ANR1I2AHRLMNAKCNH3

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-2019020770-A1 ORGANOSILICON COMPOUNDS AND COMPOSITIONS DITECPESA, S.A. (ES) 2019-01-31 WO disclosed