SCHEMBL24022101

SCHEMBL24022101

CCn1c2cc(Sc3ccccc3)ccc2c2ccc(N(c3ccc(OC)cc3)c3ccc4c(c3)C3(c5cc(N(c6ccc(OC)cc6)c6ccc7c8ccc(Sc9ccccc9)cc8n(CC)c7c6)ccc5-4)c4cc(N(c5ccc(OC)cc5)c5ccc6c7ccc(Sc8ccccc8)cc7n(CC)c6c5)ccc4-c4ccc(N(c5ccc(OC)cc5)c5ccc6c7ccc(Sc8ccccc8)cc7n(CC)c6c5)cc43)cc21

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 1/20 0.35
METAP2 P50579 2/20 0.34
KDM4E B2RXH2 3/20 0.34
GRIK2 Q13002 3/20 0.34
MAPT P10636 3/20 0.34
NPSR1 Q6W5P4 3/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
CSF1R P07333 1/20 0.34
ALDH1A1 P00352 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
HPGD P15428 1/20 0.34
CYP2C19 P33261 1/20 0.34
CNR1 P21554 3/20 0.33
CNR2 P34972 3/20 0.33
DYRK1A Q13627 1/20 0.33
MEN1 O00255 1/20 0.33
HTT P42858 1/20 0.33
RECQL P46063 1/20 0.33

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
SCHEMBL21939989 0.97 HTR2C (0.34) HTR2CMETAP2KDM4EGRIK2MAPT
SCHEMBL21939880 0.93 HTR2C (0.32) HTR2CMETAP2KDM4EGRIK2MAPT
SCHEMBL21939887 0.92 HTR2C (0.31) HTR2CMETAP2KDM4EMAPTNPSR1
SCHEMBL24022103 0.92 CSF1R (0.37) METAP2KDM4EMAPTCSF1RALDH1A1
SCHEMBL24022102 0.90 GRIK2 (0.38) HTR2CKDM4EGRIK2MAPTNPSR1
SCHEMBL21939986 0.89 CSF1R (0.35) METAP2CSF1RCNR1CNR2MAOA
SCHEMBL21939980 0.88 METAP2 (0.34) METAP2KDM4EGRIK2MAPTNPSR1
SCHEMBL21940560 0.88 GRIK2 (0.44) KDM4EGRIK2MAPTNPSR1SMN1; SMN2
SCHEMBL21939982 0.88 GRIK2 (0.36) HTR2CKDM4EGRIK2MAPTNPSR1
SCHEMBL21940019 0.86 DYRK1A (0.44) HTR2CMETAP2KDM4EGRIK2MAPT

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
US-11177403-B2 Perovskite solar cell KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2021-11-16 US disclosed