SCHEMBL11557699

SCHEMBL11557699

CC(=O)c1cccc(C(=O)Nc2nnn[nH]2)c1O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TERT O14746 2/20 0.40
▸ ALPL P05186 2/20 0.39
▸ KDM4E B2RXH2 2/20 0.39
▸ POLB P06746 1/20 0.39
▸ KDR P35968 2/20 0.37
▸ PLAU P00749 2/20 0.36
▸ KLKB1 P03952 2/20 0.36
▸ F2 P00734 1/20 0.36
▸ F10 P00742 1/20 0.36
▸ PLG P00747 1/20 0.36
▸ PLAT P00750 1/20 0.36
▸ KLK1 P06870 1/20 0.36
▸ KLK5 Q9Y337 1/20 0.36
▸ P2RX1 P51575 1/20 0.36
▸ TYK2 P29597 1/20 0.35
▸ MEN1 O00255 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ BCAT2 O15382 1/20 0.34

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
SCHEMBL11556569 0.87 KDM4E (0.40) TERTALPLKDM4EPOLBMEN1
SCHEMBL11560143 0.86 MAPT (0.40) TERTALPLKDM4EPOLBKDR
SCHEMBL11559491 0.86 KDR (0.51) ALPLKDM4EPOLBKDRPLAU
SCHEMBL11559540 0.84 ERN1 (0.38) TERTALPLKDM4EPOLBKDR
SCHEMBL11560867 0.83 KLKB1 (0.50) ALPLKDM4EPOLBKDRPLAU
SCHEMBL12310841 0.83 MMP2 (0.45) TERTALPLKDM4EPOLBKDR
SCHEMBL11559144 0.83 HSPD1 (0.40) TERTALPLKDM4EPOLBF2
SCHEMBL11562864 0.83 KLKB1 (0.53) KDM4EPOLBKLKB1KLK1KLK5
SCHEMBL11562445 0.83 RAB9A (0.45) MEN1KMT2ANPC1RAB9AALDH1A1
SCHEMBL11557497 0.83 BRD4 (0.38) TERTALPLKDM4EPOLBKDR

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-4146631-A ANTIALLERGENS, RESPIRATORY DISORDERS MAY & BAKER LIMITED (GB) 1979-03-27 — — US claimed
US-4146631-A ANTIALLERGENS, RESPIRATORY DISORDERS MAY & BAKER LIMITED (GB) 1979-03-27 — — US disclosed
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