SCHEMBL31442001

SCHEMBL31442001

Nc1cc(I)ccc1NCCCO

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 10/20 0.49
CYP19A1 P11511 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
ALDH1A1 P00352 3/20 0.39
KDM4E B2RXH2 1/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
HSD17B10 Q99714 1/20 0.39
NUDT1 P36639 1/20 0.38
PTGER4 P35408 2/20 0.38
BRD4 O60885 1/20 0.37

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
SCHEMBL10182367 0.89 PRSS1 (0.46) PRSS1HDAC6ALDH1A1KDM4EGAA
SCHEMBL31638008 0.86 PRSS1 (0.38) PRSS1CYP19A1ALDH1A1KDM4EGAA
SCHEMBL6248663 0.79 HDAC6 (0.63) PRSS1CYP19A1HDAC6ALDH1A1KDM4E
SCHEMBL30516524 0.79 PRSS1 (0.49) PRSS1CYP19A1HDAC6ALDH1A1HSD17B10
SCHEMBL30516497 0.79 HDAC6 (0.63) PRSS1CYP19A1HDAC6ALDH1A1KDM4E
SCHEMBL2794943 0.79 PRSS1 (0.49) PRSS1CYP19A1HDAC6ALDH1A1HSD17B10
SCHEMBL1464213 0.79 PRSS1 (0.49) PRSS1CYP19A1HDAC6ALDH1A1KDM4E
SCHEMBL8334585 0.79 PRSS1 (0.49) PRSS1CYP19A1HDAC6ALDH1A1KDM4E
Hydrochloric Acid SCHEMBL4862759 0.78 HDAC6 (0.61) PRSS1CYP19A1HDAC6ALDH1A1KDM4E
SCHEMBL18630747 0.76 PTGER4 (0.51) PRSS1HDAC6ALDH1A1KDM4EGAA

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
WO-2025053850-A1 COVALENT KRAS-BINDING COMPOUNDS FOR MEDICAL TREATMENT HYKU BIOSCIENCES INC. (US) 2025-03-13 WO disclosed