SCHEMBL28111042

SCHEMBL28111042

Cc1ccc(-c2cncn2C(=O)n2cncc2-c2ccc(C)cc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 1/20 0.41
CYP11B2 P19099 1/20 0.41
GSK3B P49841 1/20 0.39
DYRK1A Q13627 1/20 0.39
NTRK1 P04629 1/20 0.38
PIM1 P11309 1/20 0.38
IDO1 P14902 2/20 0.38
HSP90AA1 P07900 1/20 0.38
HSP90AB1 P08238 1/20 0.38
SMN1; SMN2 Q16637 3/20 0.37
ALDH1A1 P00352 3/20 0.37
RAB9A P51151 2/20 0.37
KDM4E B2RXH2 1/20 0.36
GAA P10253 1/20 0.36
PPP1CA P62136 1/20 0.35
PDE4B Q07343 1/20 0.35
KMT2A Q03164 3/20 0.35
MEN1 O00255 2/20 0.35
FLT3 P36888 2/20 0.35
IKBKB O14920 1/20 0.35

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
SCHEMBL1502339 0.73 IDO1 (0.51) CYP11B1CYP11B2GSK3BDYRK1AIDO1
Ammonia Solution, Strong SCHEMBL28862527 0.72 IDO1 (0.50) CYP11B1CYP11B2GSK3BDYRK1AIDO1
SCHEMBL2945430 0.70 TSHR (0.39) CYP11B1CYP11B2GSK3BDYRK1AIDO1
SCHEMBL27843880 0.70 TSHR (0.32) CYP11B1CYP11B2ALDH1A1
SCHEMBL11060633 0.68 CYP11B1 (0.45) CYP11B1CYP11B2IDO1ALDH1A1RAB9A
SCHEMBL27501966 0.68 CYP11B1 (0.39) CYP11B1CYP11B2GSK3BDYRK1AIDO1
SCHEMBL8054180 0.67 ALDH1A1 (0.41) CYP11B1CYP11B2GSK3BDYRK1AIDO1
SCHEMBL28101726 0.66 MAPK14 (0.48) CYP11B1CYP11B2GSK3BDYRK1AHSP90AA1
SCHEMBL18837707 0.66 NPC1 (0.40) CYP11B1CYP11B2IDO1RAB9AGAA
SCHEMBL27984310 0.65 CYP11B1 (0.51) CYP11B1CYP11B2IDO1SMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109627219-A A kind of production method of 5- amino-6-methyl benzimidazolone 高邮市华宝颜料有限公司 2019-04-16 CN claimed
CN-106398172-A Wear-resistant PEAK (polyaryletherketone) material and preparation method thereof 中国科学院长春应用化学研究所 2017-02-15 CN disclosed
CN-106398171-A High-strength polyaryletherketone material with stable size and preparation method thereof 中国科学院长春应用化学研究所 2017-02-15 CN disclosed
CN-106243676-A A kind of self-lubricating PAEK material and preparation method thereof 中国科学院长春应用化学研究所 2016-12-21 CN disclosed
CN-106243675-A A kind of antibacterial PAEK material and preparation method thereof 中国科学院长春应用化学研究所 2016-12-21 CN disclosed