SCHEMBL29205484

SCHEMBL29205484

COCCn1c(CCN)nc2ccccc21

nearest known ligand 0.77

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.62
TSHR P16473 4/20 0.61
RAB9A P51151 3/20 0.61
NPC1 O15118 2/20 0.60
TP53 P04637 2/20 0.60
KMT2A Q03164 1/20 0.60
HPGD P15428 2/20 0.58
L3MBTL1 Q9Y468 1/20 0.57
ALDH1A1 P00352 4/20 0.54
LMNA P02545 3/20 0.54
KDM4E B2RXH2 2/20 0.53
GLA P06280 1/20 0.53
GAA P10253 1/20 0.53
MAPT P10636 2/20 0.52
MAPK1 P28482 1/20 0.51
CASR P41180 1/20 0.51
GRM2 Q14416 1/20 0.50
PKM P14618 1/20 0.50

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
SCHEMBL30281572 1.00 SMN1; SMN2 (0.62) SMN1; SMN2TSHRRAB9ANPC1TP53
Hydrochloric Acid SCHEMBL29205417 0.91 SMN1; SMN2 (0.72) SMN1; SMN2TSHRRAB9ANPC1TP53
Hydrochloric Acid SCHEMBL30281588 0.91 SMN1; SMN2 (0.72) SMN1; SMN2TSHRRAB9ANPC1TP53
Hydrochloric Acid SCHEMBL29205426 0.84 SMN1; SMN2 (0.52) SMN1; SMN2TSHRRAB9ATP53KMT2A
Hydrochloric Acid SCHEMBL30282102 0.84 SMN1; SMN2 (0.52) SMN1; SMN2TSHRRAB9ATP53KMT2A
SCHEMBL22627288 0.84 L3MBTL1 (0.74) SMN1; SMN2TSHRRAB9ANPC1TP53
SCHEMBL5379370 0.84 TSHR (0.65) SMN1; SMN2TSHRRAB9ANPC1TP53
SCHEMBL15294614 0.83 SMN1; SMN2 (0.86) SMN1; SMN2TSHRRAB9ANPC1TP53
SCHEMBL4897865 0.82 LMNA (0.71) SMN1; SMN2TSHRRAB9ANPC1TP53
SCHEMBL18148387 0.82 RAB9A (0.64) SMN1; SMN2TSHRRAB9ANPC1TP53

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
CN-117999262-A N-substituted inhibitors of membrane iron transport proteins 威佛(国际)股份公司 2024-05-07 CN disclosed