SCHEMBL11380905

SCHEMBL11380905

CCCCn1cnnc1SCC

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.38
RAB9A P51151 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
ALDH1A1 P00352 6/20 0.37
KMT2A Q03164 2/20 0.37
POLB P06746 1/20 0.37
LMNA P02545 1/20 0.36
TSHR P16473 2/20 0.36
CYP1A2 P05177 2/20 0.36
HTT P42858 3/20 0.34
ADORA2A P29274 1/20 0.34
ATM Q13315 1/20 0.34
GAA P10253 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
MEN1 O00255 1/20 0.33
CYP2C19 P33261 1/20 0.33

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
SCHEMBL11381035 0.86 LMNA (0.37) NPC1RAB9ASMN1; SMN2ALDH1A1KMT2A
SCHEMBL11370333 0.84 TSHR (0.43) NPC1RAB9ASMN1; SMN2ALDH1A1KMT2A
SCHEMBL11368779 0.83 ALDH1A1 (0.41) NPC1RAB9ASMN1; SMN2ALDH1A1KMT2A
SCHEMBL11380768 0.80 SMN1; SMN2 (0.48) NPC1RAB9ASMN1; SMN2ALDH1A1KMT2A
SCHEMBL11374925 0.78 ALDH1A1 (0.36) NPC1RAB9ASMN1; SMN2ALDH1A1KMT2A
SCHEMBL11371323 0.78 NPC1 (0.50) NPC1RAB9AALDH1A1KMT2ALMNA
SCHEMBL11384148 0.78 ALDH1A1 (0.48) SMN1; SMN2ALDH1A1KMT2APOLBLMNA
SCHEMBL11373235 0.76 RAB9A (0.57) NPC1RAB9AALDH1A1KMT2APOLB
SCHEMBL9972652 0.75
SCHEMBL11378240 0.75 ALDH1A1 (0.51) NPC1RAB9ASMN1; SMN2ALDH1A1KMT2A

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-4271308-A FUNGICIDES ROHM AND HAAS COMPANY (US) 1981-06-02 US disclosed
US-4120864-A FUNGICIDES ROHM AND HAAS COMPANY (US) 1978-10-17 US disclosed