SCHEMBL26555682

SCHEMBL26555682

C=C1C=Cc2c(ccc3ccccc23)N1C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ P2RX4 Q99571 1/20 0.43
▸ ALDH1A1 P00352 5/20 0.37
▸ CYP2A6 P11509 3/20 0.37
▸ TSHR P16473 3/20 0.37
▸ HSD17B10 Q99714 3/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ HPRT1 P00492 1/20 0.34
▸ MAPT P10636 6/20 0.34
▸ KDM4E B2RXH2 5/20 0.34
▸ MEN1 O00255 2/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ MAPK1 P28482 2/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ GAA P10253 2/20 0.33
▸ GLA P06280 1/20 0.33
▸ RCE1 Q9Y256 1/20 0.33
▸ HIF1A Q16665 2/20 0.32
▸ CYP1B1 Q16678 1/20 0.32
▸ CA12 O43570 1/20 0.32
▸ CA9 Q16790 1/20 0.32

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
SCHEMBL12776605 0.87 P2RX4 (0.49) P2RX4ALDH1A1CYP2A6TSHRHSD17B10
SCHEMBL10133977 0.82 P2RX4 (0.40) P2RX4ALDH1A1CYP2A6TSHRHSD17B10
SCHEMBL12777478 0.78 P2RX4 (0.60) P2RX4ALDH1A1CYP2A6TSHRHSD17B10
SCHEMBL12793371 0.77 P2RX4 (0.48) P2RX4ALDH1A1CYP2A6TSHRHSD17B10
SCHEMBL12776867 0.76 P2RX4 (0.47) P2RX4ALDH1A1CYP2A6TSHRHSD17B10
SCHEMBL2578936 0.67 ALDH1A1 (0.48) ALDH1A1CYP2A6TSHRHSD17B10TDP1
SCHEMBL10105334 0.66 MAPT (0.42) P2RX4TSHRMAPTKDM4EMEN1
SCHEMBL13712693 0.66 ALDH1A1 (0.37) ALDH1A1CYP2A6TSHRHSD17B10TDP1
SCHEMBL6574797 0.64 MAPT (0.42) ALDH1A1CYP2A6TSHRHSD17B10TDP1
SCHEMBL12775946 0.63 MAPT (0.47) ALDH1A1CYP2A6TSHRHSD17B10TDP1

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-20230331958-A1 KETOQUINOLONES AS PHOTONITIATORS IGM RESINS ITALIA S.R.L. (IT) 2023-10-19 — — US disclosed
US-20230331958-A1 KETOQUINOLONES AS PHOTONITIATORS IGM RESINS ITALIA S.R.L. (IT) 2023-10-19 — — US disclosed
Send feedback