SCHEMBL17296947

SCHEMBL17296947

Cc1ccc(C(=O)Nc2cccc(CC(=O)O)c2)o1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 4/20 0.72
▸ LMNA P02545 2/20 0.65
▸ MAPK1 P28482 1/20 0.65
▸ MAPT P10636 4/20 0.64
▸ RAB9A P51151 3/20 0.64
▸ HPGD P15428 2/20 0.64
▸ KLK7 P49862 1/20 0.59
▸ NR1H4 Q96RI1 1/20 0.57
▸ HPSE Q9Y251 1/20 0.56
▸ PKM P14618 4/20 0.55
▸ ALDH1A1 P00352 3/20 0.55
▸ POLB P06746 2/20 0.55
▸ TSHR P16473 1/20 0.55
▸ HSD17B10 Q99714 1/20 0.55
▸ TDP1 Q9NUW8 1/20 0.55
▸ HTT P42858 1/20 0.52
▸ NPC1 O15118 3/20 0.52
▸ TP53 P04637 2/20 0.52
▸ NFKB1 P19838 1/20 0.52
▸ NFKB2 Q00653 1/20 0.52

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
SCHEMBL12698771 0.84 SMN1; SMN2 (1.00) SMN1; SMN2MAPTRAB9AHPGDKLK7
SCHEMBL3054687 0.83 KCNH2 (0.63) SMN1; SMN2LMNAMAPK1MAPTHPGD
SCHEMBL3059881 0.82 KCNH2 (0.61) SMN1; SMN2MAPTRAB9AHPGDNR1H4
SCHEMBL3055465 0.82 ALDH1A1 (0.70) SMN1; SMN2LMNAMAPK1MAPTRAB9A
SCHEMBL3053397 0.82 KMT2A (0.60) SMN1; SMN2LMNAMAPK1MAPTHPGD
SCHEMBL24169389 0.81 LMNA (0.71) SMN1; SMN2LMNAMAPK1MAPTRAB9A
SCHEMBL17899811 0.80 SMN1; SMN2 (1.00) SMN1; SMN2LMNAMAPK1MAPTRAB9A
SCHEMBL3067918 0.79 ALDH1A1 (0.60) SMN1; SMN2LMNAMAPK1MAPTRAB9A
SCHEMBL3065546 0.78 MAPT (0.60) SMN1; SMN2LMNAMAPK1MAPTRAB9A
SCHEMBL3058436 0.78 MAPT (0.58) SMN1; SMN2LMNAMAPTRAB9AHPGD

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-9199918-B2 Small molecule inhibitors of AGBL2 GEORGETOWN UNIVERSITY (US) 2015-12-01 — — US disclosed
US-9199918-B2 Small molecule inhibitors of AGBL2 GEORGETOWN UNIVERSITY (US) 2015-12-01 — — US disclosed
Send feedback