SCHEMBL28684192

SCHEMBL28684192

CCCc1cc(-c2ccncc2)ccn1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SREBF2 Q12772 13/20 0.50
KDM4E B2RXH2 3/20 0.50
LMNA P02545 3/20 0.50
CYP3A4 P08684 2/20 0.50
TSHR P16473 1/20 0.50
MAPT P10636 3/20 0.48
ATM Q13315 3/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
ALDH1A1 P00352 1/20 0.48
CYP2D6 P10635 2/20 0.47
PSEN1 P49768 1/20 0.47
PSEN2 P49810 1/20 0.47
APH1B Q8WW43 1/20 0.47
NCSTN Q92542 1/20 0.47
APH1A Q96BI3 1/20 0.47
PSENEN Q9NZ42 1/20 0.47
RECQL P46063 1/20 0.47

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
Bromide SCHEMBL28704512 0.98 MAPT (0.50) SREBF2KDM4ELMNACYP3A4TSHR
SCHEMBL2296943 0.87 SREBF2 (0.64) SREBF2KDM4ELMNACYP3A4TSHR
SCHEMBL28078531 0.86 CYP2D6 (0.49) SREBF2KDM4ELMNACYP3A4TSHR
SCHEMBL27913958 0.86 CYP2D6 (0.49) SREBF2KDM4ELMNACYP3A4TSHR
SCHEMBL28012363 0.86 CYP2D6 (0.49) SREBF2KDM4ELMNACYP3A4TSHR
SCHEMBL28011947 0.86 CYP2D6 (0.49) SREBF2KDM4ELMNACYP3A4TSHR
SCHEMBL28011986 0.86 CYP2D6 (0.49) SREBF2KDM4ELMNACYP3A4TSHR
SCHEMBL7515433 0.84 SREBF1 (0.46) SREBF2LMNACYP3A4MAPTCYP2D6
SCHEMBL28292679 0.83 CYP2D6 (0.46) SREBF2KDM4ELMNACYP3A4TSHR
Hydrochloric Acid SCHEMBL29278990 0.82 SREBF1 (0.45) SREBF2LMNACYP3A4MAPTCYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109942831-B Two photochromic viologen host-guest MOFs materials and preparation and application thereof 山西师范大学 2021-08-31 CN claimed
CN-109942831-B Two photochromic viologen host-guest MOFs materials and preparation and application thereof 山西师范大学 2021-08-31 CN disclosed
CN-109942831-B Two photochromic viologen host-guest MOFs materials and preparation and application thereof 山西师范大学 2021-08-31 CN disclosed