SCHEMBL11559054

SCHEMBL11559054

CC(C)(C)c1ccc(C(=O)Nc2nnn[nH]2)c(O)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR1H4 Q96RI1 3/20 0.50
▸ NPC1 O15118 3/20 0.41
▸ ALPL P05186 2/20 0.41
▸ RAB9A P51151 2/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ PLG P00747 2/20 0.40
▸ KLK1 P06870 2/20 0.40
▸ KLK6 Q92876 2/20 0.40
▸ KLKB1 P03952 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ ALOX15 P16050 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ P2RX1 P51575 2/20 0.38
▸ ANO1 Q5XXA6 2/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ KMT2A Q03164 2/20 0.35
▸ F2 P00734 1/20 0.35

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
SCHEMBL11562704 0.87 P2RX1 (0.45) HSD17B10P2RX1KMT2ATRPV1P2RX4
SCHEMBL11564423 0.83 KDR (0.49) NPC1ALPLRAB9ASMN1; SMN2PLG
SCHEMBL11565071 0.82 ALDH1A1 (0.49) ALPLRAB9ASMN1; SMN2ALDH1A1ALOX15
SCHEMBL26704609 0.81 NPC1 (0.61) NPC1ALPLRAB9ASMN1; SMN2ALDH1A1
SCHEMBL11557569 0.80 PNLIP (0.40) NPC1ALPLRAB9ASMN1; SMN2P2RX1
SCHEMBL11564078 0.80 P2RX1 (0.48) ALPLPLGKLKB1ALOX15P2RX1
SCHEMBL11559729 0.80 KLKB1 (0.51) NPC1RAB9ASMN1; SMN2KLKB1ALDH1A1
SCHEMBL11556748 0.80 SMN1; SMN2 (0.51) NR1H4NPC1RAB9ASMN1; SMN2PLG
SCHEMBL11554274 0.80 SMN1; SMN2 (0.43) NPC1ALPLRAB9ASMN1; SMN2ALDH1A1
SCHEMBL11560905 0.79 AVPR2 (0.39) NPC1ALPLRAB9ASMN1; SMN2ALDH1A1

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