SCHEMBL7100653

SCHEMBL7100653

CCCCCNc1nc(Cl)nc(NCCCCC)n1

nearest known ligand 0.80

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.80
LMNA P02545 1/20 0.59
KCNH3 Q9ULD8 2/20 0.54
NR1I2 O75469 1/20 0.51
AHR P35869 1/20 0.51
PKM P14618 1/20 0.46
RAD52 P43351 1/20 0.46
DNM2 P50570 6/20 0.46
SLC29A1 Q99808 1/20 0.43

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 0.98 KMT2A (0.83) KMT2ALMNAKCNH3NR1I2AHR
SCHEMBL11787843 0.98 KMT2A (0.83) KMT2ALMNAKCNH3NR1I2AHR
SCHEMBL20694824 0.96 KMT2A (0.81) KMT2ALMNAKCNH3NR1I2AHR
SCHEMBL616128 0.96 KMT2A (0.74) KMT2ALMNAKCNH3NR1I2AHR
SCHEMBL20680484 0.94 KMT2A (0.78) KMT2ALMNAKCNH3NR1I2AHR
SCHEMBL7937257 0.94 KMT2A (0.77) KMT2ALMNAKCNH3NR1I2AHR
SCHEMBL10912439 0.94 KMT2A (0.77) KMT2ALMNAKCNH3NR1I2AHR
SCHEMBL17563553 0.94 KMT2A (0.77) KMT2ALMNAKCNH3NR1I2AHR
SCHEMBL1562316 0.94 KMT2A (0.77) KMT2ALMNAKCNH3NR1I2AHR
SCHEMBL2238412 0.94 KMT2A (0.77) KMT2ALMNAKCNH3NR1I2AHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-61166858-A None JP disclosed
EP-0751170-B1 Silicone derivatives, their production and use CHIBA FLOUR MILLING (JP) 2003-01-22 EP disclosed
US-5859243-A AMINOSILICONES HAVING PYRIMIDINYL GROUPS BOUND TO THE AMINO GROUPS; USED TO GEL SILICONE OIL OR TO INCREASE THE VISCOSITY STABLY AND HOMOGENEOUSLY; BASES FOR COSMETICS, DRUGS, INDUSTRIAL MATERIAL; FEEL; TEXTURE CHIBA FLOUR MILLING CO., LTD. (JP) 1999-01-12 US disclosed
US-5712391-A POLYSILOXANES MODIFIED WITH TRIAZINE GROUPS AND DIAMINE COMPOUNDS FOR COSMETICS CHIBA FLOUR MILLING CO., LTD. (JP) 1998-01-27 US disclosed
EP-0751170-A2 Silicone derivatives, their production and use Chiba Flour Milling Co., Ltd. (JP) 1997-01-02 EP disclosed
JP-S61166858-A QUINOPHTHALONE DERIVATIVE MITSUBISHI CHEM IND LTD 1986-07-28 JP disclosed