SCHEMBL8745956

SCHEMBL8745956

Oc1ccccc1Cc1ncccn1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSPA5 P11021 1/20 0.62
ALDH1A1 P00352 3/20 0.50
HPGD P15428 1/20 0.50
KEAP1 Q14145 1/20 0.50
CYP2D6 P10635 1/20 0.45
TSHR P16473 1/20 0.45
HIF1A Q16665 1/20 0.45
CASP6 P55212 1/20 0.44
TAAR1 Q96RJ0 1/20 0.43
AKR1B1 P15121 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.42
KDM4E B2RXH2 1/20 0.42
MEN1 O00255 1/20 0.42
NSD2 O96028 1/20 0.42
MAPT P10636 1/20 0.42
BLM P54132 1/20 0.42
KMT2A Q03164 1/20 0.42
ADORA3 P0DMS8 1/20 0.42
ADORA2A P29274 1/20 0.42
ADORA1 P30542 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
SCHEMBL11064066 0.83 HSPA5 (0.58) HSPA5ALDH1A1HPGDKEAP1CYP2D6
SCHEMBL9752017 0.79 ALDH1A1 (0.59) HSPA5ALDH1A1HPGDKEAP1CYP2D6
SCHEMBL2750237 0.79 HSPA5 (0.58) HSPA5ALDH1A1HPGDKEAP1TAAR1
SCHEMBL29357407 0.78 HSPA5 (1.00) HSPA5ALDH1A1HPGDKEAP1CYP2D6
SCHEMBL49745 0.78 HSPA5 (1.00) HSPA5ALDH1A1HPGDKEAP1CYP2D6
SCHEMBL27460114 0.76 HSPA5 (0.59) HSPA5ALDH1A1HPGDKEAP1CYP2D6
SCHEMBL21387079 0.76 HSPA5 (0.59) HSPA5ALDH1A1HPGDKEAP1CYP2D6
SCHEMBL29839938 0.76 HSPA5 (0.94) HSPA5ALDH1A1HPGDKEAP1CYP2D6
SCHEMBL7809667 0.76 HSPA5 (0.94) HSPA5ALDH1A1HPGDKEAP1CYP2D6
Ammonia Solution, Strong SCHEMBL28323965 0.76 HSPA5 (0.94) HSPA5ALDH1A1HPGDKEAP1CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118834847-A ALS mutant protein of rice, coding gene and application thereof 合肥戬谷生物科技有限公司 2024-10-25 CN claimed
CN-118834847-A ALS mutant protein of rice, coding gene and application thereof 合肥戬谷生物科技有限公司 2024-10-25 CN disclosed
US-5672567-A PRE- AND POST-EMERGENCE ZENECA LIMITED (GB) 1997-09-30 US disclosed
US-5670453-A PYRAZINEARYL COMPOUND ZENECA LIMITED (GB) 1997-09-23 US disclosed
EP-0758323-A1 HERBICIDAL HYDROXYBENZYL-SUBSTITUTED HETEROARYL COMPOUNDS AND DERIVATIVES THEREOF ZENECA LIMITED (GB) 1997-02-19 EP disclosed
WO-1995029898-A1 HERBICIDAL HYDROXYBENZYL-SUBSTITUTED HETEROARYL COMPOUNDS AND DERIVATIVES THEREOF ZENECA LIMITED (GB) 1995-11-09 WO disclosed
US-4116958-A ORGANIC SYNTHETIC METHODS BENZYLPYRIMIDINE DERIVATIVES BURROUGHS WELLCOME CO. (US) 1978-09-26 US disclosed