SCHEMBL29412876

SCHEMBL29412876

COC(=O)c1cccnc1N

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NAPRT Q6XQN6 1/20 0.61
ALDH1A1 P00352 3/20 0.56
CFTR P13569 1/20 0.56
HSD17B10 Q99714 1/20 0.56
TDP1 Q9NUW8 1/20 0.55
PRKCI P41743 2/20 0.54
MAP2K1 Q02750 1/20 0.53
KDM4E B2RXH2 6/20 0.51
POLB P06746 2/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
PKM P14618 1/20 0.50
ATM Q13315 1/20 0.50
GLA P06280 1/20 0.50
GAA P10253 1/20 0.50
LMNA P02545 1/20 0.48
TSHR P16473 1/20 0.48
CNR2 P34972 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
SCHEMBL167456 1.00 NAPRT (0.61) NAPRTALDH1A1CFTRHSD17B10TDP1
Hydrochloric Acid SCHEMBL29373852 0.98 NAPRT (0.59) NAPRTALDH1A1CFTRHSD17B10TDP1
SCHEMBL30753027 0.88 NAPRT (0.56) NAPRTALDH1A1CFTRHSD17B10TDP1
SCHEMBL219458 0.85 NAPRT (0.66) NAPRTALDH1A1TDP1PRKCIKDM4E
SCHEMBL27958777 0.83 NAPRT (0.63) NAPRTALDH1A1TDP1PRKCIKDM4E
SCHEMBL812065 0.81 KDM4E (0.59) ALDH1A1CFTRHSD17B10TDP1MAP2K1
SCHEMBL29923922 0.81 NAPRT (0.56) NAPRTALDH1A1HSD17B10TDP1PRKCI
SCHEMBL1292847 0.81 NAPRT (0.56) NAPRTALDH1A1HSD17B10TDP1PRKCI
SCHEMBL12517053 0.81 NAPRT (0.56) NAPRTALDH1A1PRKCIKDM4EPOLB
SCHEMBL181049 0.81 ALDH1A1 (0.60) NAPRTALDH1A1HSD17B10KDM4EL3MBTL1

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
EP-4214208-A1 COMPOUNDS WHICH INHIBIT RNA POLYMERASE The Johns Hopkins University (US) 2023-07-26 EP disclosed
WO-2022060799-A1 COMPOUNDS WHICH INHIBIT RNA POLYMERASE AND THEIR USE THE JOHNS HOPKINS UNIVERSITY (US) 2022-03-24 WO disclosed
WO-2022060805-A1 COMPOUNDS WHICH INHIBIT RNA POLYMERASE THE JOHNS HOPKINS UNIVERSITY (US) 2022-03-24 WO disclosed