SCHEMBL29040352

SCHEMBL29040352

CCOc1ccc(C(N)=NO)cc1Cl

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.50
SMN1; SMN2 Q16637 5/20 0.49
LMNA P02545 4/20 0.49
GAA P10253 3/20 0.48
POLB P06746 2/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
MCL1 Q07820 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
HTT P42858 1/20 0.47
RAB9A P51151 7/20 0.46
NPC1 O15118 5/20 0.46
MAPT P10636 5/20 0.46
TP53 P04637 2/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C19 P33261 1/20 0.46
RORC P51449 1/20 0.46
NFKB1 P19838 1/20 0.45
NFKB2 Q00653 1/20 0.45

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
SCHEMBL30506256 1.00 RECQL (0.50) RECQLSMN1; SMN2LMNAGAAPOLB
SCHEMBL20116311 1.00 RECQL (0.50) RECQLSMN1; SMN2LMNAGAAPOLB
SCHEMBL3181095 0.85 MAPK1 (0.55) RECQLSMN1; SMN2LMNAGAAPOLB
SCHEMBL3181108 0.85 MAPK1 (0.55) RECQLSMN1; SMN2LMNAGAAPOLB
SCHEMBL12402284 0.83 POLB (0.49) SMN1; SMN2LMNAGAAPOLBMEN1
SCHEMBL12574120 0.83 POLB (0.49) SMN1; SMN2LMNAGAAPOLBMEN1
SCHEMBL17730781 0.82 RECQL (0.68) RECQLSMN1; SMN2GAAPOLBMEN1
SCHEMBL17730782 0.82 RECQL (0.68) RECQLSMN1; SMN2GAAPOLBMEN1
SCHEMBL17737721 0.82 RECQL (0.68) RECQLSMN1; SMN2GAAPOLBMEN1
SCHEMBL20116382 0.81 RECQL (0.50) RECQLSMN1; SMN2LMNAGAAMEN1

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-117777121-A Compounds and uses thereof 詹森药业有限公司 2024-03-29 CN disclosed
CN-110099898-B Compounds and uses thereof 优曼尼蒂治疗公司 2023-07-25 CN disclosed