SCHEMBL29101565

SCHEMBL29101565

CCNC(=O)c1cc(Br)cc(C)c1N

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.39
EED O75530 2/20 0.37
RBBP4 Q09028 2/20 0.37
SUZ12 Q15022 2/20 0.37
AEBP2 Q6ZN18 2/20 0.37
ALDH1A1 P00352 4/20 0.37
LMNA P02545 1/20 0.37
CYP1A2 P05177 2/20 0.36
MEN1 O00255 1/20 0.36
CYP2C19 P33261 1/20 0.36
KMT2A Q03164 1/20 0.36
PKM P14618 1/20 0.36
HPGD P15428 3/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
MAPT P10636 1/20 0.35

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
SCHEMBL6650108 0.88 L3MBTL1 (0.48) KDM4EALDH1A1CYP1A2KMT2AHPGD
SCHEMBL13753819 0.83 KDM4E (0.58) KDM4EALDH1A1LMNAHPGDSMN1; SMN2
SCHEMBL17434217 0.83 HDAC1 (0.41) KDM4EALDH1A1LMNACYP1A2MEN1
SCHEMBL11869160 0.82 KDR (0.46) KDM4EEEDRBBP4SUZ12AEBP2
SCHEMBL17238838 0.82 CYP1A2 (0.55) KDM4EALDH1A1LMNACYP1A2CYP2C19
SCHEMBL634151 0.81 KDM4E (0.42) KDM4EALDH1A1PKMHPGDSMN1; SMN2
SCHEMBL14735049 0.81 PIM1 (0.47) KDM4EALDH1A1MEN1KMT2AHPGD
SCHEMBL1314957 0.81 KDM4E (0.39) KDM4EALDH1A1LMNAKMT2APKM
SCHEMBL30784382 0.77 KDM4E (0.39) KDM4EALDH1A1LMNACYP1A2HPGD
SCHEMBL3206636 0.77 ALOX5 (0.46) KDM4EEEDRBBP4SUZ12AEBP2

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
CN-116730977-A Novel aryl heterocyclic compound, and preparation method and application thereof 华东理工大学 2023-09-12 CN disclosed