SCHEMBL17372216

SCHEMBL17372216

O=C(O)c1ccc(N2CCCC2)nc1F

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ PARP1 P09874 2/20 0.43
▸ IP6K1 Q92551 1/20 0.41
▸ MAOB P27338 5/20 0.40
▸ PKM P14618 1/20 0.40
▸ DHODH Q02127 1/20 0.40
▸ ALDH1A1 P00352 3/20 0.40
▸ MAPT P10636 2/20 0.40
▸ MAPK1 P28482 2/20 0.40
▸ POLB P06746 2/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ NAPRT Q6XQN6 1/20 0.40
▸ HSD17B14 Q9BPX1 1/20 0.39
▸ SHMT2 P34897 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ HCAR2 Q8TDS4 1/20 0.38
▸ PTGER4 P35408 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ ALOX12 P18054 1/20 0.38

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
SCHEMBL18394769 0.86 PKM (0.57) PKMALDH1A1MAPTPOLBSHMT2
SCHEMBL22045433 0.81 PARP1 (0.40) PARP1MAOBALDH1A1MAPTMAPK1
SCHEMBL25141499 0.81 PTGER4 (0.43) PTGER4
SCHEMBL2130721 0.80 GABRP (0.50) PARP1IP6K1ALDH1A1MAPK1POLB
SCHEMBL2132966 0.79 GABRP (0.49) PARP1MAOBALDH1A1MAPTMAPK1
SCHEMBL16333570 0.77 MAP4K4 (0.54) ALDH1A1MAPTPOLB
SCHEMBL21262194 0.76 PKM (0.44) IP6K1PKMDHODHALDH1A1POLB
SCHEMBL15923396 0.76 KDM4E (0.40) PARP1PKMALDH1A1POLBKDM4E
SCHEMBL14899290 0.76 PKM (0.53) MAOBPKMDHODHALDH1A1MAPT
SCHEMBL17371708 0.76 POLB (0.55) PARP1MAOBALDH1A1MAPTPOLB

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
EP-3157938-B1 HETERO FUNCTIONAL BINDING SYSTEMS ANTEO TECH PTY LTD (AU) 2022-03-16 — — EP disclosed
US-10768176-B2 Hetero functional binding systems ANTEO TECHNOLOGIES PTY LTD (AU) 2020-09-08 — — US disclosed
US-20170115285-A1 HETERO FUNCTIONAL BINDING SYSTEMS ANTEO TECHNOLOGIES PTY LTD (AU) 2017-04-27 — — US disclosed
EP-3157938-A1 HETERO FUNCTIONAL BINDING SYSTEMS Anteo Technologies Pty Ltd. (AU) 2017-04-26 — — EP disclosed
WO-2015192183-A1 HETERO FUNCTIONAL BINDING SYSTEMS ANTEO TECHNOLOGIES PTY LTD (AU) 2015-12-23 — — WO disclosed
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