Propane

Propane

SCHEMBL21986397

CCC.Nc1ccc(-c2ccc(N)c(N)c2)cc1N

nearest known ligand 0.78

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 6/20 0.78
KMT2A Q03164 5/20 0.78
MEN1 O00255 4/20 0.78
CYP3A4 P08684 7/20 0.52
ALDH1A1 P00352 7/20 0.52
TSHR P16473 4/20 0.52
HSD17B10 Q99714 5/20 0.52
KDM4E B2RXH2 4/20 0.52
MAPT P10636 4/20 0.52
POLB P06746 3/20 0.52
KCNH2 Q12809 2/20 0.52
MAPK1 P28482 2/20 0.52
HPGD P15428 2/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
CYP17A1 P05093 2/20 0.50
CYP19A1 P11511 2/20 0.50
CYP11B1 P15538 2/20 0.50
CYP11B2 P19099 2/20 0.50
ALOX15 P16050 5/20 0.48
SMN1; SMN2 Q16637 2/20 0.48

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
Alcohol SCHEMBL28513353 0.90 TDP1 (0.70) TDP1KMT2AMEN1CYP3A4ALDH1A1
Methylamine SCHEMBL28942219 0.88 TDP1 (0.88) TDP1KMT2AMEN1CYP3A4ALDH1A1
Ethane SCHEMBL1599237 0.88 TDP1 (0.88) TDP1KMT2AMEN1CYP3A4ALDH1A1
SCHEMBL29349835 0.88 TDP1 (1.00) TDP1KMT2AMEN1CYP3A4ALDH1A1
SCHEMBL23855 0.88 TDP1 (1.00) TDP1KMT2AMEN1CYP3A4ALDH1A1
Ether SCHEMBL686962 0.85 TDP1 (0.64) TDP1KMT2AMEN1CYP3A4ALDH1A1
Water SCHEMBL3137651 0.85 TDP1 (0.93) TDP1KMT2AMEN1CYP3A4ALDH1A1
Hydrochloric Acid SCHEMBL504482 0.85 TDP1 (0.93) TDP1KMT2AMEN1CYP3A4ALDH1A1
Hydrochloric Acid SCHEMBL874057 0.85 TDP1 (0.93) TDP1KMT2AMEN1CYP3A4ALDH1A1
Water SCHEMBL10589317 0.85 TDP1 (0.93) TDP1KMT2AMEN1CYP3A4ALDH1A1

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-2443176-B1 METHOD FOR THE PRODUCTION OF A HIGH-MOLECULAR POLYAZOLE BASF SE (DE) 2020-06-03 EP claimed
WO-2023189348-A1 CARBON FIBER SUBSTRATE, PREPREG, POROUS STRUCTURE, METHOD FOR MANUFACTURING SAME, PREFORM, FIBER-REINFORCED RESIN MOLDED BODY, SANDWICH STRUCTURE, AND AIRCRAFT MEMBER 東レ株式会社 2023-10-05 WO disclosed