SCHEMBL31070656

SCHEMBL31070656

NC(=O)N1Cc2cc(N3CCCC3)ccc2C1c1c[nH]c2ccccc12

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.39
POLB P06746 2/20 0.39
BRD4 O60885 1/20 0.39
ALDH1A1 P00352 1/20 0.39
CREBBP Q92793 1/20 0.39
KIF11 P52732 6/20 0.39
MAPT P10636 2/20 0.39
GFER P55789 1/20 0.37
KCNA3 P22001 1/20 0.37
CCR2 P41597 1/20 0.37
HSD11B1 P28845 1/20 0.37
TRPV1 Q8NER1 2/20 0.36
LMNA P02545 1/20 0.36
ADRA1D P25100 1/20 0.36

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
SCHEMBL31070505 0.99 POLB (0.39) KDM4EPOLBBRD4ALDH1A1CREBBP
SCHEMBL30593210 0.90 KIF11 (0.42) KDM4EPOLBBRD4ALDH1A1CREBBP
SCHEMBL31070496 0.86 KIF11 (0.40) KIF11MAPT
SCHEMBL31070569 0.86 HSD11B1 (0.44) ALDH1A1HSD11B1
SCHEMBL31070636 0.85 IDO1 (0.34) MAPTHSD11B1TRPV1ADRA1D
SCHEMBL31070542 0.82 KCNA3 (0.46) KDM4EPOLBBRD4ALDH1A1CREBBP
SCHEMBL31070623 0.82 ECE1 (0.40) KDM4EPOLBBRD4ALDH1A1CREBBP
SCHEMBL31070485 0.82 MAP2 (0.37) HSD11B1TRPV1
SCHEMBL30593208 0.82 KIF11 (0.44) KDM4EPOLBBRD4ALDH1A1CREBBP
SCHEMBL31070532 0.80 CCR2 (0.44) KDM4EPOLBBRD4ALDH1A1CREBBP

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-118515600-A Isoindoline compound and medical application thereof 中国科学院上海药物研究所 2024-08-20 CN disclosed