SCHEMBL29803538

SCHEMBL29803538

O=C(O)c1scc(C2=CCNCC2)c1F

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.45
▸ BLM P54132 1/20 0.45
▸ GABRP O00591 1/20 0.42
▸ GABRD O14764 1/20 0.42
▸ GABRA1 P14867 1/20 0.42
▸ TSHR P16473 1/20 0.42
▸ GABRB1 P18505 1/20 0.42
▸ GABRG2 P18507 1/20 0.42
▸ GABRR1 P24046 1/20 0.42
▸ GABRB3 P28472 1/20 0.42
▸ GABRA5 P31644 1/20 0.42
▸ GABRA3 P34903 1/20 0.42
▸ GABRA2 P47869 1/20 0.42
▸ GABRB2 P47870 1/20 0.42
▸ GABRA4 P48169 1/20 0.42
▸ GABRE P78334 1/20 0.42
▸ GABRA6 Q16445 1/20 0.42
▸ GABRG1 Q8N1C3 1/20 0.42
▸ GABRG3 Q99928 1/20 0.42
▸ GABRQ Q9UN88 1/20 0.42

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
SCHEMBL24669925 0.79 MAPKAPK2 (0.48) LMNAHTR2CHTR6SIGMAR1QDPR
Trifluoroacetic Acid SCHEMBL29803728 0.77 MAPKAPK2 (0.44) HTR2CHTR6SIGMAR1QDPRP2RY14
Hydrochloric Acid SCHEMBL9731541 0.70 LMNA (0.46) LMNABLMGABRPGABRDGABRA1
Hydrochloric Acid SCHEMBL2581107 0.69 LMNA (0.45) LMNABLMGABRPGABRDGABRA1
SCHEMBL23327652 0.68 HTR6 (0.38) LMNABLMHTR2CHTR6SIGMAR1
SCHEMBL30080856 0.68 HTR2C (0.44) LMNABLMGABRPGABRDGABRA1
SCHEMBL24669202 0.67 MAPKAPK2 (0.49) LMNAHTR2CHTR6SIGMAR1QDPR
SCHEMBL20801748 0.67 GABRP (0.44) LMNABLMGABRPGABRDGABRA1
SCHEMBL4357707 0.65 HTR6 (0.49) HTR2CHTR6KDM4EALDH1A1HSD17B10
SCHEMBL4746022 0.64 QDPR (0.62) LMNABLMGABRPGABRDGABRA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022192162-A1 NOVEL HETEROAROMATIC COMPOUNDS EXHIBITING ANTIFUNGAL ACTIVITY AND THEIR METHOD OF USE FOX CHASE CHEMICAL DIVERSITY CENTER, INC. (US) 2022-09-15 — — WO disclosed
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