SCHEMBL31363111

SCHEMBL31363111

CCOC(=O)c1cnn(C)c1Oc1cccc(Br)c1F

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.42
POLB P06746 1/20 0.42
PKM P14618 1/20 0.42
ALDH1A1 P00352 4/20 0.40
HPGD P15428 3/20 0.40
SMN1; SMN2 Q16637 5/20 0.39
RAB9A P51151 3/20 0.39
NPC1 O15118 2/20 0.39
KDM4E B2RXH2 1/20 0.39
HSD17B10 Q99714 1/20 0.39
HTT P42858 1/20 0.39
PAX8 Q06710 1/20 0.39
MAPT P10636 2/20 0.39
KMT2A Q03164 3/20 0.38
TSHR P16473 1/20 0.38

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
SCHEMBL31363069 0.85 BTK (0.36) LMNAALDH1A1HPGDSMN1; SMN2RAB9A
SCHEMBL15675500 0.76 ALDH1A1 (0.52) POLBALDH1A1HPGDSMN1; SMN2RAB9A
SCHEMBL3261727 0.75 RAB9A (0.50) LMNAPKMALDH1A1HPGDSMN1; SMN2
SCHEMBL669621 0.73 TSHR (0.59) LMNAPOLBALDH1A1SMN1; SMN2KDM4E
SCHEMBL31257133 0.73 TSHR (0.59) LMNAPOLBALDH1A1SMN1; SMN2KDM4E
SCHEMBL31363005 0.72 BTK (0.33) LMNAALDH1A1RAB9ANPC1HTT
SCHEMBL10665817 0.72 SMN1; SMN2 (0.49) LMNAALDH1A1HPGDSMN1; SMN2RAB9A
SCHEMBL31363023 0.72 HTT (0.42) LMNAHPGDSMN1; SMN2HTTKMT2A
SCHEMBL13772116 0.71 RAB9A (0.46) LMNAPKMALDH1A1HPGDSMN1; SMN2
SCHEMBL2315523 0.71 RAB9A (0.48) LMNAPKMALDH1A1HPGDSMN1; SMN2

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-2025033011-A1 FIVE-MEMBERED HETEROARYL COMPOUND AND AGRICULTURAL AND HORTICULTURAL BACTERICIDE 日本曹達株式会社 2025-02-13 WO disclosed