SCHEMBL29475641

SCHEMBL29475641

Nc1cnc(C(=O)O)cn1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRP O00591 5/20 0.48
GABRD O14764 5/20 0.48
GABRA1 P14867 5/20 0.48
GABRB1 P18505 5/20 0.48
GABRG2 P18507 5/20 0.48
GABRB3 P28472 5/20 0.48
GABRA5 P31644 5/20 0.48
GABRA3 P34903 5/20 0.48
GABRA2 P47869 5/20 0.48
GABRB2 P47870 5/20 0.48
GABRA4 P48169 5/20 0.48
GABRE P78334 5/20 0.48
GABRA6 Q16445 5/20 0.48
GABRG1 Q8N1C3 5/20 0.48
GABRG3 Q99928 5/20 0.48
GABRQ Q9UN88 5/20 0.48
KDM4E B2RXH2 5/20 0.46
HCAR2 Q8TDS4 2/20 0.46
NAPRT Q6XQN6 1/20 0.46
P4HTM Q9NXG6 2/20 0.45

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
SCHEMBL2218717 1.00 GABRP (0.48) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL2220140 0.86 SIRT6 (0.59) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL70035 0.84 KDM4E (0.59) KDM4EHCAR2NAPRTP4HTMP4HA1
SCHEMBL7767700 0.82 KDM4E (0.56) KDM4EHCAR2NAPRTP4HTMP4HA1
Water SCHEMBL28665454 0.82 KDM4E (0.56) KDM4EHCAR2NAPRTP4HTMP4HA1
Water SCHEMBL336347 0.82 KDM4E (0.56) KDM4EHCAR2NAPRTP4HTMP4HA1
Hydrochloric Acid SCHEMBL11594387 0.82 KDM4E (0.56) KDM4EHCAR2NAPRTP4HTMP4HA1
SCHEMBL17712841 0.80 SIRT6 (0.64) KDM4EHCAR2NAPRTP4HTMP4HA1
Iodide SCHEMBL7459681 0.79 KDM4E (0.54) KDM4EHCAR2NAPRTP4HTMP4HA1
SCHEMBL648809 0.79 SIRT6 (0.47) GABRPGABRDGABRA1GABRB1GABRG2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119307851-B High-wear-resistance corrosion-resistance mechanical steel and preparation method thereof 珠海市龙圣模具材料有限公司 2025-03-04 CN disclosed
CN-119307851-A High-wear-resistance corrosion-resistance mechanical steel and preparation method thereof 珠海市龙圣模具材料有限公司 2025-01-14 CN disclosed
EP-4199968-A1 ANTIBODY-TLR AGONIST CONJUGATES, METHODS AND USES THEREOF Ambrx, Inc. (US) 2023-06-28 EP disclosed
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed
WO-2022040596-A1 ANTIBODY-TLR AGONIST CONJUGATES, METHODS AND USES THEREOF AMBRX, INC. (US) 2022-02-24 WO disclosed