SCHEMBL21067780

SCHEMBL21067780

CCn1c(=O)c2c(C)n[nH]c2c2ccccc21

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2C19 P33261 1/20 0.48
ALDH1A1 P00352 6/20 0.47
PLK1 P53350 1/20 0.46
LMNA P02545 3/20 0.46
HTT P42858 3/20 0.46
HPGD P15428 2/20 0.46
MAPK1 P28482 1/20 0.46
KDM4E B2RXH2 6/20 0.46
RCE1 Q9Y256 1/20 0.46
PGR P06401 1/20 0.46
PDE5A O76074 1/20 0.43
MAPK8 P45983 1/20 0.43
MAPT P10636 2/20 0.42
RECQL P46063 1/20 0.42
NPC1 O15118 2/20 0.42
MITF O75030 1/20 0.42
AGTR1 P30556 1/20 0.42
RAB9A P51151 1/20 0.42

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
SCHEMBL6518602 0.85 AURKA (0.41) CYP1A2CYP3A4CYP2C19ALDH1A1PLK1
SCHEMBL6514910 0.85 CHEK1 (0.49) CYP1A2ALDH1A1PLK1LMNAHTT
SCHEMBL6508661 0.83 TOP2A (0.53) PLK1HTTKDM4EMAPTSMN1; SMN2
SCHEMBL6515436 0.83 CHEK1 (0.51) ALDH1A1PLK1LMNAHPGDKDM4E
SCHEMBL6523698 0.83 TSHR (0.47) ALDH1A1LMNAHPGDKDM4EPGR
Hydrochloric Acid SCHEMBL6518743 0.82 TOP2A (0.52) HTTKDM4EMAPTSMN1; SMN2RXFP1
SCHEMBL6521770 0.81 HDAC3 (0.40) ALDH1A1PLK1LMNAHPGDKDM4E
SCHEMBL6508895 0.81 MEN1 (0.35) CYP1A2CYP3A4CYP2C19ALDH1A1PLK1
SCHEMBL6514357 0.80 ALDH1A1 (0.44) CYP1A2CYP3A4CYP2C19ALDH1A1LMNA
SCHEMBL6522904 0.80 GAA (0.51) ALDH1A1LMNAMEN1KMT2AGAA

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
US-20210254056-A1 IDENTIFICATION AND TARGETED MODULATION OF GENE SIGNALING NETWORKS CAMP4 THERAPEUTICS CORPORATION 2021-08-19 US disclosed
US-20190192691-A1 REGULATED BIOCIRCUIT SYSTEMS OBSIDIAN THERAPEUTICS, INC. 2019-06-27 US disclosed