SCHEMBL29479999

SCHEMBL29479999

C1=CC([Zr](Cc2ccccc2)(Cc2ccccc2)C2C=Cc3ccccc32)c2ccccc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 6/20 0.39
HTR6 P50406 1/20 0.39
HTR2A P28223 2/20 0.36
ATM Q13315 1/20 0.32
TP53 P04637 2/20 0.31
ALDH1A1 P00352 2/20 0.31
CYP3A4 P08684 2/20 0.31
CYP2C9 P11712 1/20 0.31
TSHR P16473 1/20 0.31
CYP2C19 P33261 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
MAPK1 P28482 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
P2RY2 P41231 1/20 0.30
MEN1 O00255 2/20 0.30
KMT2A Q03164 2/20 0.30
USP2 O75604 1/20 0.30
MAPT P10636 1/20 0.30
HPGD P15428 1/20 0.30
ALOX15 P16050 1/20 0.30

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
SCHEMBL6055286 1.00 SIGMAR1 (0.39) SIGMAR1HTR6HTR2AATMTP53
SCHEMBL9220624 0.90 SIGMAR1 (0.36) SIGMAR1HTR6HTR2A
SCHEMBL5273072 0.86 SIGMAR1 (0.39) SIGMAR1HTR6HTR2ATP53CYP3A4
Hydrochloric Acid SCHEMBL9202544 0.81 SIGMAR1 (0.37) SIGMAR1HTR6HTR2ASMN1; SMN2MEN1
Hydrochloric Acid SCHEMBL4478389 0.81 SIGMAR1 (0.37) SIGMAR1HTR6HTR2ASMN1; SMN2MEN1
SCHEMBL9220630 0.79 SIGMAR1 (0.38) SIGMAR1HTR6HTR2ATP53CYP3A4
SCHEMBL28747647 0.79 SIGMAR1 (0.38) SIGMAR1HTR6HTR2AALDH1A1TSHR
Hydrochloric Acid SCHEMBL27531769 0.78 SIGMAR1 (0.38) SIGMAR1HTR6HTR2ASMN1; SMN2MEN1
Ethylene SCHEMBL819259 0.75 HTR2A (0.36) SIGMAR1HTR6HTR2ATP53CYP3A4
SCHEMBL5705527 0.74 HTR2A (0.35) SIGMAR1HTR6HTR2A

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-118434778-A Dual metallocene bimodal HDPE resins with improved stress crack resistance 切弗朗菲利浦化学公司 2024-08-02 CN disclosed
CN-114402256-A Organic film, method for producing same, composition, laminate, and semiconductor device 富士胶片株式会社 2022-04-26 CN disclosed