SCHEMBL21100000

SCHEMBL21100000

C=C(Cl)/C(C)=C\c1ccccc1C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.43
TSHR P16473 3/20 0.43
ACHE P22303 2/20 0.35
KDM4E B2RXH2 5/20 0.33
RAB9A P51151 3/20 0.33
CYP1A2 P05177 2/20 0.33
CYP2C19 P33261 1/20 0.33
APOBEC3A P31941 1/20 0.33
APOBEC3G Q9HC16 1/20 0.33
TRPA1 O75762 1/20 0.33
MAPT P10636 2/20 0.33
LMNA P02545 2/20 0.33
NPC1 O15118 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HPGD P15428 1/20 0.33
HTT P42858 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
PABPC1 P11940 1/20 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
SCHEMBL14451690 0.84 ALDH1A1 (0.43) ALDH1A1TSHRACHEKDM4ERAB9A
SCHEMBL21133305 0.84 ALDH1A1 (0.43) ALDH1A1TSHRACHEKDM4ERAB9A
SCHEMBL25109162 0.82 ALDH1A1 (0.42) ALDH1A1TSHRACHEKDM4ERAB9A
SCHEMBL12696332 0.82 ALDH1A1 (0.47) ALDH1A1TSHRACHEKDM4ERAB9A
SCHEMBL10703654 0.79 ALDH1A1 (0.50) ALDH1A1TSHRACHEKDM4ERAB9A
SCHEMBL22680156 0.78 TSHR (0.38) ALDH1A1TSHRACHEKDM4ERAB9A
SCHEMBL19688675 0.78 TSHR (0.38) ALDH1A1TSHRACHEKDM4ERAB9A
SCHEMBL17122439 0.78 ALDH1A1 (0.50) ALDH1A1TSHRACHEKDM4ERAB9A
SCHEMBL2439822 0.78 ALDH1A1 (0.50) ALDH1A1TSHRACHEKDM4ERAB9A
SCHEMBL13287298 0.78 ALDH1A1 (0.50) ALDH1A1TSHRACHEKDM4ERAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2551270-B1 PYRAZOLOPYRIMIDINE DERIVATIVES FOR USE AS PI3 KINASE ANTAGONISTS UNIV CALIFORNIA (US) 2019-06-12 EP disclosed