SCHEMBL7974500

SCHEMBL7974500

COc1ccccc1N1CCN(C(=O)CSc2cccc(CSc3nc4ccccc4[nH]3)c2C)CC1

nearest known ligand 0.77

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 7/20 0.60
ALDH1A1 P00352 7/20 0.60
HTT P42858 2/20 0.60
MAPT P10636 3/20 0.58
MAPK1 P28482 3/20 0.58
HSD17B10 Q99714 2/20 0.58
USP2 O75604 2/20 0.58
KDM4E B2RXH2 1/20 0.58
MPO P05164 1/20 0.58
POLB P06746 2/20 0.57
KDM4C Q9H3R0 1/20 0.57
LMNA P02545 1/20 0.53
PKM P14618 1/20 0.53
TSHR P16473 1/20 0.53
ATM Q13315 1/20 0.52
KMT2A Q03164 2/20 0.52
RAB9A P51151 3/20 0.52
NPC1 O15118 2/20 0.50
MEN1 O00255 1/20 0.49

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
SCHEMBL7977556 0.86 SMN1; SMN2 (0.58) SMN1; SMN2ALDH1A1HTTMAPTMAPK1
SCHEMBL7963947 0.85 RAB9A (0.70) SMN1; SMN2ALDH1A1HTTMAPTMAPK1
SCHEMBL7975301 0.83 SMN1; SMN2 (0.48) SMN1; SMN2ALDH1A1HTTMAPTMAPK1
SCHEMBL7977633 0.78 SMN1; SMN2 (0.56) SMN1; SMN2ALDH1A1HTTMAPTHSD17B10
SCHEMBL7977587 0.77 NPC1 (0.58) SMN1; SMN2ALDH1A1MAPTMPOPOLB
SCHEMBL7974288 0.77 KMT2A (0.65) SMN1; SMN2ALDH1A1MAPTMPOPOLB
SCHEMBL7964019 0.75 SMN1; SMN2 (0.58) SMN1; SMN2ALDH1A1HTTMAPTMAPK1
2-Mercaptobenzimidazole SCHEMBL7975305 0.74 SMN1; SMN2 (0.50) SMN1; SMN2ALDH1A1HTTMAPTHSD17B10
SCHEMBL7963990 0.73 SMN1; SMN2 (0.50) SMN1; SMN2ALDH1A1HTTMAPTMAPK1
SCHEMBL7974434 0.73 POLB (0.65) SMN1; SMN2ALDH1A1USP2KDM4EMPO

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
WO-2001034573-A1 COMPOUNDS ASTRAZENECA AB (SE) 2001-05-17 WO claimed
WO-2001034573-A1 COMPOUNDS ASTRAZENECA AB (SE) 2001-05-17 WO disclosed