SCHEMBL25548743

SCHEMBL25548743

O=C1c2ccc3c4ncc5c6c(ccc(c7ncc(c2c37)C(=O)N1CCc1ccc(F)cc1)c64)C(=O)N(CCc1ccc(F)cc1)C5=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 2/20 0.43
▸ CA1 P00915 2/20 0.43
▸ CA2 P00918 2/20 0.43
▸ CA9 Q16790 2/20 0.43
▸ CYP1B1 Q16678 1/20 0.41
▸ ALDH1A1 P00352 7/20 0.40
▸ MAPT P10636 6/20 0.40
▸ RAB9A P51151 3/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ GAA P10253 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ CYP2C19 P33261 2/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ PKM P14618 1/20 0.39
▸ TERT O14746 3/20 0.38
▸ KMT2A Q03164 3/20 0.38
▸ HPGD P15428 3/20 0.38
▸ MEN1 O00255 2/20 0.38
▸ LMNA P02545 2/20 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
SCHEMBL20964368 0.87 ALDH1A1 (0.55) CA12CA1CA2CA9CYP1B1
SCHEMBL24704063 0.85 ALDH1A1 (0.55) CA12CA1CA2CA9CYP1B1
SCHEMBL24603666 0.84 ALDH1A1 (0.51) CA12CA1CA2CA9CYP1B1
SCHEMBL37950754 0.84 TERT (0.53) CA12CA1CA2CA9CYP1B1
SCHEMBL14303159 0.84 TERT (0.53) CA12CA1CA2CA9CYP1B1
SCHEMBL24603782 0.80 CYP1B1 (0.56) CYP1B1ALDH1A1MAPTRAB9AKDM4E
SCHEMBL27071534 0.79 CYP1B1 (0.47) CYP1B1ALDH1A1MAPTRAB9AKDM4E
SCHEMBL24603682 0.78 TDP1 (0.47) CYP1B1ALDH1A1MAPTRAB9AKDM4E
SCHEMBL20964335 0.78 POLB (0.45) CA12CA1CA2CA9ALDH1A1
SCHEMBL22746164 0.75 KDM4E (0.48) ALDH1A1MAPTRAB9AKDM4ESMN1; SMN2

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
US-20230165123-A1 PRODUCTION METHOD FOR PATTERNED ORGANIC FILM, PRODUCTION APPARATUS FOR PATTERNED ORGANIC FILM, ORGANIC SEMICONDUCTOR DEVICE PRODUCED BY SAME, AND INTEGRATED CIRCUIT INCLUDING ORGANIC SEMICONDUCTOR DEVICE THE UNIVERSITY OF TOKYO (JP) 2023-05-25 — — US disclosed
US-20230165123-A1 PRODUCTION METHOD FOR PATTERNED ORGANIC FILM, PRODUCTION APPARATUS FOR PATTERNED ORGANIC FILM, ORGANIC SEMICONDUCTOR DEVICE PRODUCED BY SAME, AND INTEGRATED CIRCUIT INCLUDING ORGANIC SEMICONDUCTOR DEVICE THE UNIVERSITY OF TOKYO (JP) 2023-05-25 — — US disclosed
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