SCHEMBL16468650

SCHEMBL16468650

CC(C#N)n1c2ccccc2c2ccccc21.CC(C(=O)O)n1c2ccccc2c2ccccc21

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.43
STAT3 P40763 2/20 0.40
ALDH1A1 P00352 1/20 0.40
MAPK1 P28482 1/20 0.40
POLB P06746 3/20 0.39
KDM4E B2RXH2 3/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HTT P42858 1/20 0.38
USP5 P45974 1/20 0.38
NPY5R Q15761 1/20 0.36
BCHE P06276 1/20 0.35
ACHE P22303 1/20 0.35
ELANE P08246 1/20 0.35

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
SCHEMBL150034 0.87 KMT2A (0.53) KMT2AALDH1A1POLBKDM4EHTT
SCHEMBL18258624 0.87 KMT2A (0.53) KMT2AALDH1A1POLBKDM4EHTT
SCHEMBL150790 0.85 GPR3 (0.43) KMT2ASTAT3ALDH1A1MAPK1POLB
SCHEMBL21027730 0.79 P2RX4 (0.50) KMT2AALDH1A1POLBKDM4EHTT
SCHEMBL27543263 0.75 TSPO (0.50) KMT2AALDH1A1POLBKDM4ENPY5R
SCHEMBL11875976 0.74 MEN1 (0.41) KMT2AALDH1A1MAPK1POLBKDM4E
SCHEMBL27841871 0.73 POLB (0.53) KMT2AALDH1A1MAPK1POLBKDM4E
SCHEMBL11753437 0.73 MEN1 (0.53) KMT2AALDH1A1MAPK1KDM4ESMN1; SMN2
SCHEMBL28875485 0.72 LMNA (0.51) KMT2AALDH1A1POLBKDM4EHTT
SCHEMBL27984706 0.72 POLB (0.47) KMT2AALDH1A1MAPK1POLBKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9696475-B2 Optical film SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-07-04 US disclosed
US-20150049291-A1 OPTICAL FILM SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2015-02-19 US disclosed