SCHEMBL7908486

SCHEMBL7908486

O=Cc1ccccc1OCCCBr

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.74
HPGD P15428 1/20 0.74
HTT P42858 1/20 0.74
SMN1; SMN2 Q16637 1/20 0.74
PTGDR2 Q9Y5Y4 1/20 0.56
MAPT P10636 2/20 0.50
KMT2A Q03164 5/20 0.48
LMNA P02545 3/20 0.48
GAA P10253 1/20 0.48
MEN1 O00255 3/20 0.48
RAD52 P43351 1/20 0.47
SRC P12931 1/20 0.46
TDP1 Q9NUW8 2/20 0.44
THRB P10828 1/20 0.44
BLM P54132 1/20 0.44
KDM4E B2RXH2 1/20 0.44
POLB P06746 1/20 0.44
RECQL P46063 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
CYP1A2 P05177 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
SCHEMBL7903822 0.94 ALDH1A1 (0.71) ALDH1A1HPGDHTTSMN1; SMN2PTGDR2
SCHEMBL28518730 0.93 ALDH1A1 (0.69) ALDH1A1HPGDHTTSMN1; SMN2PTGDR2
SCHEMBL10482275 0.93 ALDH1A1 (0.69) ALDH1A1HPGDHTTSMN1; SMN2PTGDR2
SCHEMBL19328388 0.93 ALDH1A1 (0.69) ALDH1A1HPGDHTTSMN1; SMN2PTGDR2
SCHEMBL1607703 0.90 ALDH1A1 (0.77) ALDH1A1HPGDHTTSMN1; SMN2PTGDR2
SCHEMBL5805320 0.88 ALDH1A1 (0.87) ALDH1A1HPGDHTTSMN1; SMN2PTGDR2
SCHEMBL8372730 0.88 ALDH1A1 (0.87) ALDH1A1HPGDHTTSMN1; SMN2PTGDR2
SCHEMBL1498464 0.86 ALDH1A1 (0.55) ALDH1A1HPGDHTTSMN1; SMN2PTGDR2
SCHEMBL13305834 0.86 ALDH1A1 (0.83) ALDH1A1HPGDHTTSMN1; SMN2PTGDR2
SCHEMBL21828406 0.86 ALDH1A1 (0.83) ALDH1A1HPGDHTTSMN1; SMN2PTGDR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117486929-A Substituted alkyl germanium compound and modularized synthesis method thereof 西安交通大学 2024-02-02 CN claimed
CN-113454086-B Imidazo [2,1-F ] [1,2,4] triazin-4-amine derivatives as TLR7 agonists 百济神州有限公司 2025-03-14 CN disclosed
CN-117486929-A Substituted alkyl germanium compound and modularized synthesis method thereof 西安交通大学 2024-02-02 CN disclosed
EP-3921320-A1 IMIDAZO [2, 1-F] [1, 2, 4] TRIAZIN-4-AMINE DERIVATIVES AS TLR7 AGONIST BeiGene, Ltd. (KY) 2021-12-15 EP disclosed
WO-2020160711-A1 IMIDAZO [2, 1-F] [1, 2, 4] TRIAZIN-4-AMINE DERIVATIVES AS TLR7 AGONIST BEIGENE, LTD. (KY) 2020-08-13 WO disclosed
WO-2007117180-A1 AZAHETEROCYCLES, COMBINATORY LIBRARY, FOCUSED LIBRARY, PHARMACEUTICAL COMPOSITION AND METHODS FOR THE PRODUCTION THEREOF 'CHEMICAL DIVERSITY RESEARCH INSTITUTE' LTD. (RU) 2007-10-18 WO disclosed
US-6191152-B1 CARDIOVASCULAR DISORDERS, NERVOUS SYSTEM DISORDERS EGIS GYÓGYSZERGYAR RT. (HU) 2001-02-20 US disclosed
EP-0958294-A1 2-(1,2,4-TRIAZOLE-1-YL)-1,3,4-THIADIAZOLE DERIVATIVES HAVING AN EFFECT ON THE C.N.S. AND THE HEART EGIS GYOGYSZERGYAR (HU) 1999-11-24 EP disclosed
WO-1998030561-A1 2-(1,2,4-TRIAZOLE-1-YL)-1,3,4-THIADIAZOLE DERIVATIVES HAVING AN EFFECT ON THE C.N.S. AND THE HEART EGIS Gyógyszergyár Rt. (HU) 1998-07-16 WO disclosed