SCHEMBL24070239

SCHEMBL24070239

CC(C)n1ccnc1C(=O)OCc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 4/20 0.46
KMT2A Q03164 2/20 0.46
SLC6A2 P23975 1/20 0.46
SLC6A3 Q01959 1/20 0.46
JMJD6 Q6NYC1 1/20 0.46
L3MBTL1 Q9Y468 3/20 0.46
TSHR P16473 3/20 0.46
RAB9A P51151 2/20 0.46
CASP3 P42574 1/20 0.46
SENP8 Q96LD8 1/20 0.46
SENP7 Q9BQF6 1/20 0.46
SENP6 Q9GZR1 1/20 0.46
POLB P06746 2/20 0.46
LMNA P02545 2/20 0.45
ALDH1A1 P00352 5/20 0.44
MAPT P10636 1/20 0.42
HPGD P15428 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
EGLN1 Q9GZT9 1/20 0.41
MAP3K5 Q99683 1/20 0.41

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
SCHEMBL24333919 0.83 ALDH1A1 (0.43) TDP1KMT2ASLC6A2SLC6A3JMJD6
SCHEMBL7882044 0.82 JMJD6 (0.52) TDP1KMT2ASLC6A2SLC6A3JMJD6
SCHEMBL4857159 0.80 L3MBTL1 (0.50) TDP1KMT2ASLC6A2SLC6A3JMJD6
SCHEMBL21559637 0.77 TDP1 (0.45) TDP1KMT2ASLC6A2SLC6A3L3MBTL1
SCHEMBL9207547 0.77 KCNA5 (0.48) L3MBTL1POLBLMNAMAPTSMN1; SMN2
SCHEMBL25893352 0.77 TDP1 (0.47) TDP1KMT2ASLC6A2SLC6A3JMJD6
SCHEMBL20651056 0.76 TDP1 (0.46) TDP1KMT2ASLC6A2SLC6A3JMJD6
SCHEMBL28740303 0.75 JMJD6 (0.44) TDP1KMT2ASLC6A2SLC6A3JMJD6
SCHEMBL2152994 0.75 L3MBTL1 (0.49) TDP1KMT2ASLC6A2SLC6A3JMJD6
SCHEMBL28714507 0.75 GABRA1 (0.58) TDP1TSHRRAB9ALMNAALDH1A1

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
EP-3967682-A1 BISHETEROCYCLIC CARBONYL SUBSTITUTED DIHYDROPYRAZOLE COMPOUND, PREPARATION METHOD THEREFOR AND PHARMACEUTICAL USE THEREOF Genfleet Therapeutics (Shanghai) Inc. (CN) 2022-03-16 EP disclosed
WO-2021239058-A1 FUSED TRICYCLIC COMPOUND, PHARMACEUTICAL COMPOSITION THEREOF, AND USE THEREOF 劲方医药科技(上海)有限公司 2021-12-02 WO disclosed