SCHEMBL28519633

SCHEMBL28519633

O=C1Nc2ccc(Br)cc2C12CC2(c1ccc(F)cc1)c1ccc(F)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.40
MAPT P10636 3/20 0.40
CYP2C19 P33261 2/20 0.40
CYP1A2 P05177 1/20 0.40
AKR1B1 P15121 2/20 0.40
AKR1A1 P14550 1/20 0.40
LMNA P02545 3/20 0.39
PKM P14618 1/20 0.39
ALDH1A1 P00352 2/20 0.39
KDM4E B2RXH2 1/20 0.39
POLB P06746 1/20 0.38
CYP3A4 P08684 1/20 0.38
GAA P10253 3/20 0.38
MEN1 O00255 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
MGAM O43451 1/20 0.38
SI P14410 1/20 0.38
MGAM2 Q2M2H8 1/20 0.38
ALPL P05186 1/20 0.38
HSP90AA1 P07900 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
SCHEMBL28528531 0.86 LMNA (0.42) KMT2AMAPTCYP2C19CYP1A2AKR1B1
SCHEMBL28515905 0.86 SLC27A2 (0.46) KMT2AMAPTCYP2C19AKR1B1LMNA
SCHEMBL29619573 0.86 SLC27A2 (0.46) KMT2AMAPTCYP2C19AKR1B1LMNA
SCHEMBL29619589 0.85 ADAMTS5 (0.39) KMT2AMAPTCYP2C19CYP1A2AKR1B1
SCHEMBL29619616 0.78 LMNA (0.40) KMT2AMAPTCYP2C19CYP1A2AKR1B1
SCHEMBL16197051 0.77 BRD4 (0.54) KMT2ACYP2C19AKR1B1AKR1A1LMNA
SCHEMBL28522164 0.76 TP53 (0.42) KMT2AMAPTAKR1B1LMNAPKM
SCHEMBL28526734 0.76 LMNA (0.42) KMT2AMAPTCYP2C19LMNAPKM
SCHEMBL1966160 0.73 CYP1A2 (0.54) KMT2AMAPTCYP2C19CYP1A2AKR1B1
SCHEMBL29619619 0.72 ALDH1A1 (0.52) KMT2AMAPTLMNAPKMALDH1A1

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-112250614-B Synthesis method of 3-spiro-tricyclic indolone derivative 苏州大学 2022-02-01 CN disclosed
CN-112250614-A Synthesis method of 3-spiro-tricyclic indolone derivative 苏州大学 2021-01-22 CN disclosed