SCHEMBL8304092

SCHEMBL8304092

Brc1cccc(C2=N[C@H](c3ccccc3)CO2)c1

nearest known ligand 0.62

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.62
RAB9A P51151 4/20 0.62
MAPT P10636 3/20 0.55
SMN1; SMN2 Q16637 3/20 0.55
ALDH1A1 P00352 2/20 0.55
TAAR1 Q96RJ0 4/20 0.47
TP53 P04637 1/20 0.43
TSHR P16473 1/20 0.43
POLB P06746 2/20 0.42
LMNA P02545 1/20 0.41
HTT P42858 1/20 0.41

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
SCHEMBL8304089 1.00 NPC1 (0.62) NPC1RAB9AMAPTSMN1; SMN2ALDH1A1
SCHEMBL1298504 0.89 NPC1 (0.70) NPC1RAB9AMAPTSMN1; SMN2ALDH1A1
SCHEMBL14352146 0.89 NPC1 (0.70) NPC1RAB9AMAPTSMN1; SMN2ALDH1A1
SCHEMBL13495018 0.84 NPC1 (0.71) NPC1RAB9AMAPTSMN1; SMN2ALDH1A1
SCHEMBL1149438 0.84 NPC1 (0.71) NPC1RAB9AMAPTSMN1; SMN2ALDH1A1
SCHEMBL29938562 0.84 NPC1 (0.71) NPC1RAB9AMAPTSMN1; SMN2ALDH1A1
SCHEMBL9614459 0.82 NPC1 (0.61) NPC1RAB9AMAPTSMN1; SMN2ALDH1A1
SCHEMBL8304084 0.82 NPC1 (0.62) NPC1RAB9AMAPTSMN1; SMN2ALDH1A1
SCHEMBL8308063 0.82 NPC1 (0.62) NPC1RAB9AMAPTSMN1; SMN2ALDH1A1
SCHEMBL8307476 0.82 NPC1 (0.62) NPC1RAB9AMAPTSMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0832078-B1 N-HYDROXYUREAS AS ANTIINFLAMMATORY AGENTS PFIZER (US) 1999-10-20 EP disclosed
US-5814648-A N-hydroxyureas as antiinflammatory agents PFIZER INC. (US) 1998-09-29 US disclosed