SCHEMBL27831726

SCHEMBL27831726

CCCCn1ccnc1-c1ccc(C)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.59
ALDH1A1 P00352 2/20 0.59
POLB P06746 1/20 0.59
TLR8 Q9NR97 3/20 0.47
ESR1 P03372 1/20 0.45
CYP2C19 P33261 3/20 0.43
NPC1 O15118 2/20 0.43
MEN1 O00255 2/20 0.43
HTT P42858 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
CYP1A2 P05177 1/20 0.43
RAB9A P51151 1/20 0.43
GRIN2B Q13224 1/20 0.41
CYP3A4 P08684 2/20 0.41
TSHR P16473 2/20 0.41
CYP2C9 P11712 1/20 0.40
HIF1A Q16665 1/20 0.40
LMNA P02545 1/20 0.37
MITF O75030 1/20 0.37
MAPK1 P28482 1/20 0.37

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
SCHEMBL27713476 0.94 TLR8 (0.53) KMT2AALDH1A1POLBTLR8ESR1
SCHEMBL27708835 0.94 TLR8 (0.53) KMT2AALDH1A1POLBTLR8ESR1
SCHEMBL1885040 0.90 ESR1 (0.47) KMT2AALDH1A1POLBTLR8ESR1
SCHEMBL14676087 0.87 ALDH1A1 (0.56) KMT2AALDH1A1POLBTLR8ESR1
SCHEMBL2399585 0.87 ESR1 (0.60) KMT2AALDH1A1POLBTLR8ESR1
Iodide SCHEMBL10483028 0.85 ESR1 (0.59) KMT2AALDH1A1POLBTLR8ESR1
SCHEMBL10005373 0.84 ALDH1A1 (0.74) KMT2AALDH1A1POLBTLR8ESR1
SCHEMBL28563055 0.83 ALDH1A1 (0.51) KMT2AALDH1A1POLBTLR8ESR1
SCHEMBL27306734 0.82 ESR1 (0.42) KMT2AALDH1A1POLBESR1NPC1
SCHEMBL3833947 0.82 ESR1 (0.59) KMT2AALDH1A1POLBTLR8ESR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106496126-B A kind of two-photon fluorescence probe that RNA is imaged and its application in living cells 山东省科学院新材料研究所 2019-05-28 CN disclosed
CN-102084535-B Dye-sensitized photoelectric conversion element PECCELL TECHNOLOGIES INC 2014-07-02 CN disclosed
CN-102084535-A Dye-sensitized photoelectric conversion element PECCELL TECHNOLOGIES INC 2011-06-01 CN disclosed