SCHEMBL21043774

SCHEMBL21043774

CCCN1C(=O)CCc2cc(CNS(=O)(=O)c3ccc(Cl)s3)ccc21

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 3/20 0.63
▸ TP53 P04637 3/20 0.56
▸ LMNA P02545 2/20 0.55
▸ MEN1 O00255 2/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ TSHR P16473 1/20 0.42
▸ HTT P42858 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ CYP1A2 P05177 1/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ HDAC1 Q13547 1/20 0.42
▸ HDAC8 Q9BY41 1/20 0.42
▸ HDAC6 Q9UBN7 1/20 0.42
▸ BRD4 O60885 1/20 0.41
▸ CREBBP Q92793 1/20 0.41
▸ MAPT P10636 3/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40

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
SCHEMBL21043794 0.89 BRD4 (0.53) POLBTP53LMNAHDAC1HDAC8
SCHEMBL21043815 0.86 POLB (0.48) POLBTP53LMNAHDAC1HDAC8
SCHEMBL21043843 0.83 TP53 (0.61) POLBTP53LMNACYP2C9CYP2C19
SCHEMBL21043849 0.83 MEN1 (0.49) POLBTP53LMNAMEN1KMT2A
SCHEMBL21043845 0.81 BRD4 (0.53) POLBTP53LMNACYP1A2HDAC1
SCHEMBL21043777 0.81 LMNA (0.50) POLBTP53LMNAMEN1KMT2A
SCHEMBL21043801 0.80 POLB (0.45) POLBTP53LMNAHDAC1HDAC8
SCHEMBL19865932 0.80 HDAC1 (0.46) POLBTP53LMNAMEN1KMT2A
SCHEMBL21043856 0.80 GAA (0.49) POLBMEN1KMT2AHDAC1HDAC8
SCHEMBL21043855 0.80 MAPT (0.52) POLBTP53LMNAMEN1KMT2A

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3256447-B1 2-OXO-3,4-DIHYDROQUINOLINE COMPOUNDS AS PLANT GROWTH REGULATORS SYNGENTA PARTICIPATIONS AG (CH) 2019-06-05 — — EP disclosed
Send feedback