SCHEMBL28460906

SCHEMBL28460906

CC1=Cc2ccccc2C1c1ccccn1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.43
KDM4E B2RXH2 5/20 0.43
HSD17B10 Q99714 3/20 0.43
MAPT P10636 2/20 0.43
NPC1 O15118 2/20 0.43
KMT2A Q03164 2/20 0.43
RAB9A P51151 1/20 0.43
CASP1 P29466 3/20 0.42
LMNA P02545 1/20 0.34
CYP1A2 P05177 1/20 0.34
POLB P06746 1/20 0.34
CCR1 P32246 1/20 0.34
CCR5 P51681 1/20 0.34
CCR8 P51685 1/20 0.34
METAP1 P53582 1/20 0.34
BLM P54132 1/20 0.34
HIF1A Q16665 1/20 0.34
DOHH Q9BU89 1/20 0.34
P4HTM Q9NXG6 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.33

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
SCHEMBL30733637 0.82 TACR1 (0.35) ALDH1A1KDM4ECCR1CCR8SMN1; SMN2
SCHEMBL27992832 0.79 ALDH1A1 (0.43) ALDH1A1KDM4EHSD17B10MAPTNPC1
SCHEMBL6904701 0.79 ALDH1A1 (0.43) ALDH1A1KDM4EHSD17B10MAPTNPC1
SCHEMBL7733562 0.79 ALDH1A1 (0.40) ALDH1A1KDM4EHSD17B10MAPTNPC1
SCHEMBL6900112 0.78 ALDH1A1 (0.42) ALDH1A1KDM4EHSD17B10MAPTNPC1
Hydrochloric Acid SCHEMBL6895486 0.78 ALDH1A1 (0.42) ALDH1A1KDM4EHSD17B10MAPTNPC1
SCHEMBL6131362 0.74 LMNA (0.42) ALDH1A1KDM4EMAPTNPC1KMT2A
SCHEMBL12915388 0.74 ALDH1A1 (0.52) ALDH1A1KDM4EHSD17B10MAPTNPC1
SCHEMBL6673270 0.72 GAA (0.35) KDM4EMAPTKMT2ALMNACYP1A2
Pyridine SCHEMBL27608193 0.70 CYP11B1 (0.41) LMNATSHR

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
CN-111741961-B Catalyst, catalyst system and method of using the same 埃克森美孚化学专利公司 2024-01-12 CN disclosed
CN-111741961-A Catalysts, catalyst systems, and methods of using the same 埃克森美孚化学专利公司 2020-10-02 CN disclosed