SCHEMBL14080751

SCHEMBL14080751

C1=CC2=C(c3ccccc3)C3=NC(=C(c4ccncc4)C4=NC(=C(c5ccccc5)C5=NC(=C(c6ccncc6)C1=N2)C=C5)C=C4)C=C3

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.52
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
ATAD2 Q6PL18 1/20 0.41
PIK3CA P42336 1/20 0.39
MAPT P10636 4/20 0.37
LMNA P02545 2/20 0.37
SMN1; SMN2 Q16637 4/20 0.37
KDM4E B2RXH2 2/20 0.37
KMT2A Q03164 2/20 0.37
AR P10275 1/20 0.37
HSD17B10 Q99714 2/20 0.36
ALDH1A1 P00352 2/20 0.36
TP53 P04637 1/20 0.36
MAPK10 P53779 1/20 0.36
AURKA O14965 1/20 0.36
CDK1 P06493 1/20 0.36
LYN P07948 1/20 0.36
PIM1 P11309 1/20 0.36
FGFR1 P11362 1/20 0.36

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
SCHEMBL27838898 1.00 NOTUM (0.52) NOTUMNPC1RAB9AATAD2PIK3CA
SCHEMBL245938 0.92 MAPT (0.43) NOTUMNPC1RAB9AMAPTLMNA
SCHEMBL27979361 0.88 ALDH1A1 (0.35) NOTUMNPC1RAB9ALMNASMN1; SMN2
SCHEMBL14562749 0.88 ALDH1A1 (0.35) NOTUMNPC1RAB9ALMNASMN1; SMN2
SCHEMBL7996476 0.88 ALDH1A1 (0.35) NOTUMNPC1RAB9ALMNASMN1; SMN2
SCHEMBL2517442 0.88 ALDH1A1 (0.35) NOTUMNPC1RAB9ALMNASMN1; SMN2
SCHEMBL28180007 0.88 ALDH1A1 (0.35) NOTUMNPC1RAB9ALMNASMN1; SMN2
SCHEMBL28807262 0.88 ALDH1A1 (0.35) NOTUMNPC1RAB9ALMNASMN1; SMN2
Trimethylammonium SCHEMBL8994460 0.82 GSK3B (0.35) NPC1RAB9ASMN1; SMN2KMT2AALDH1A1
SCHEMBL28062944 0.82 ALDH1A1 (0.31) NPC1RAB9AALDH1A1MAPK1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240172755-A1 USE OF PORPHYRIN NANOSTRUCTURES AS ANTIMICROBIAL AGENTS LUNANO INC. 2024-05-30 US disclosed
WO-2022204074-A1 USE OF PORPHYRIN NANOSTRUCTURES AS ANTIMICROBIAL AGENTS LUNANO INC. (US) 2022-09-29 WO disclosed
US-8871926-B1 Synthesis of porphyrin nanostructures SANDIA CORPORATION (US) 2014-10-28 US disclosed
US-8530614-B1 Porphyrin coordination polymer nanospheres and nanorods SANDIA CORPORATION (US) 2013-09-10 US disclosed
US-8324342-B1 Porphyrin coordination polymer nanospheres and nanorods SANDIA CORPORATION (US) 2012-12-04 US disclosed