Benzene

Benzene

SCHEMBL27682129

CCn1cc(-c2cncc(C)c2)cn1.c1ccccc1

nearest known ligand 0.47

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 1/20 0.47
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
PKM P14618 1/20 0.41
PIK3CD O00329 1/20 0.41
PIK3CA P42336 1/20 0.41
PIK3CB P42338 1/20 0.41
PI4KA P42356 1/20 0.41
PIK3CG P48736 1/20 0.41
PI4KB Q9UBF8 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.40
ACSS2 Q9NR19 1/20 0.39
CYP2A6 P11509 2/20 0.39
DYRK1A Q13627 1/20 0.39
PIM1 P11309 2/20 0.38
CREBBP Q92793 1/20 0.38
PRMT5 O14744 1/20 0.38
WDR77 Q9BQA1 1/20 0.38

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
SCHEMBL13354443 0.97 LRRK2 (0.49) LRRK2KDM4EALDH1A1LMNAMAPT
Benzene SCHEMBL27682163 0.83 KCNH2 (0.41) LRRK2KDM4EALDH1A1LMNAMAPT
Benzene SCHEMBL27682124 0.83 KCNH2 (0.43) LRRK2KDM4EALDH1A1LMNAMAPT
SCHEMBL24342417 0.79 PIK3CD (0.48) LRRK2KDM4EALDH1A1LMNAMAPT
SCHEMBL13354448 0.78 KCNH2 (0.40) PIK3CACYP2A6KCNH2CYP11B1CYP11B2
SCHEMBL13354422 0.78 CYP2A6 (0.35) LRRK2PIK3CDPIK3CAPIK3CBPI4KA
SCHEMBL13086425 0.76 PIM1 (0.42) LRRK2KDM4EALDH1A1LMNAMAPT
SCHEMBL30635496 0.75 PIK3CD (0.47) LRRK2KDM4EALDH1A1LMNAMAPT
SCHEMBL18487593 0.75 L3MBTL1 (0.65) LRRK2KDM4EALDH1A1LMNAMAPT
SCHEMBL17809809 0.74 LRRK2 (0.64) LRRK2KDM4EALDH1A1LMNAPIK3CD

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-1980927-A Pyrazolopyridine derivatives ASTELLAS PHARMA INC (JP) 2007-06-13 CN claimed
CN-1980927-A Pyrazolopyridine derivatives ASTELLAS PHARMA INC (JP) 2007-06-13 CN disclosed