SCHEMBL31265664

SCHEMBL31265664

CC(C)(C)c1cc(N)n(-c2ccc(I)cc2)n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.45
RAB9A P51151 4/20 0.45
SMN1; SMN2 Q16637 4/20 0.45
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
MAPT P10636 3/20 0.45
CYP1A2 P05177 2/20 0.45
CYP2C19 P33261 2/20 0.45
TP53 P04637 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C9 P11712 1/20 0.45
CDK8 P49336 1/20 0.43
LMNA P02545 3/20 0.42
TSHR P16473 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
GRN P28799 1/20 0.42
SORT1 Q99523 1/20 0.42
ALDH1A1 P00352 2/20 0.41
MAPK1 P28482 1/20 0.41
KDM4E B2RXH2 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
SCHEMBL366727 0.86 NPC1 (0.60) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL1012343 0.85 SMN1; SMN2 (0.46) NPC1RAB9ASMN1; SMN2MEN1KMT2A
Hydrochloric Acid SCHEMBL1504021 0.85 NPC1 (0.58) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL1013888 0.83 PRKCZ (0.53) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL274692 0.83 NPC1 (0.57) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL4056715 0.83 NPC1 (0.45) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL1283896 0.83 CDK8 (0.47) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL1264553 0.83 CYP1A2 (0.61) NPC1RAB9ASMN1; SMN2MEN1KMT2A
Hydrochloric Acid SCHEMBL4056875 0.82 NPC1 (0.44) NPC1RAB9ASMN1; SMN2MEN1KMT2A
Hydrochloric Acid SCHEMBL3187024 0.82 PRKCZ (0.52) NPC1RAB9ASMN1; SMN2MEN1KMT2A

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-119060018-A N, N-diaryl urea derivative and application thereof 杭州百新生物医药科技有限公司 2024-12-03 CN disclosed