Benzene

Benzene

SCHEMBL28224971

Cc1cc(-c2ccc3c(c2-c2ccc(N)c(C)c2)Cc2ccccc2-3)ccc1N.c1ccccc1

nearest known ligand 0.43

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PGR P06401 2/20 0.43
ALDH1A1 P00352 3/20 0.42
TSHR P16473 2/20 0.42
CYP3A4 P08684 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
ADORA1 P30542 2/20 0.40
ADORA2A P29274 1/20 0.40
NPC1 O15118 3/20 0.40
RAB9A P51151 3/20 0.40
KDM4E B2RXH2 2/20 0.40
MAPT P10636 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
LMNA P02545 1/20 0.40
HPGD P15428 1/20 0.40
PNMT P11086 1/20 0.37
PKM P14618 1/20 0.35
ACHE P22303 3/20 0.33
SRD5A2 P31213 1/20 0.33
BCHE P06276 1/20 0.33
KDR P35968 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
SCHEMBL7919926 0.99 PGR (0.44) PGRALDH1A1TSHRCYP3A4TDP1
SCHEMBL31046749 0.99 PGR (0.44) PGRALDH1A1TSHRCYP3A4TDP1
SCHEMBL29800244 0.88 PGR (0.41) PGRALDH1A1TSHRCYP3A4TDP1
SCHEMBL5679834 0.86 ALDH1A1 (0.47) PGRALDH1A1TSHRCYP3A4TDP1
SCHEMBL28311215 0.85 ADORA2A (0.43) PGRALDH1A1ADORA1ADORA2ANPC1
SCHEMBL25248438 0.82 KDM4E (0.41) PGRALDH1A1ADORA1ADORA2ANPC1
SCHEMBL5162291 0.82 ALDH1A1 (0.42) PGRALDH1A1TSHRCYP3A4ADORA1
SCHEMBL30314491 0.82 TLR8 (0.42) PGRALDH1A1CYP3A4NPC1RAB9A
SCHEMBL20483771 0.82 CYP3A4 (0.43) PGRALDH1A1CYP3A4TDP1ADORA1
SCHEMBL29409550 0.82 ALDH1A1 (0.42) PGRALDH1A1TSHRCYP3A4ADORA1

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
CN-105612600-B Element processing laminated body, the manufacturing method of element processing laminated body and the manufacturing method using its thin component 东丽株式会社 2018-06-08 CN disclosed