SCHEMBL30445830

SCHEMBL30445830

CCCCCCCCCCCCCCCCCCN(CCCCCCCCCCCC)c1ccccc1C.Fc1c(F)c(F)c([B-](c2c(F)c(F)c(F)c(F)c2F)(c2c(F)c(F)c(F)c(F)c2F)c2c(F)c(F)c(F)c(F)c2F)c(F)c1F

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.45
TP53 P04637 1/20 0.45
KCNH2 Q12809 5/20 0.33
CRHR1 P34998 2/20 0.31
ICMT O60725 1/20 0.31
ALB P02768 1/20 0.31
TSHR P16473 1/20 0.31
NPC1 O15118 1/20 0.31
JAK2 O60674 1/20 0.31
RAB9A P51151 1/20 0.31
PAX8 Q06710 1/20 0.31
P2RX7 Q99572 1/20 0.30
POLB P06746 1/20 0.30

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
SCHEMBL30445789 1.00 ALDH1A1 (0.45) ALDH1A1TP53KCNH2CRHR1ICMT
SCHEMBL30445409 1.00 ALDH1A1 (0.45) ALDH1A1TP53KCNH2CRHR1ICMT
SCHEMBL30445731 1.00 ALDH1A1 (0.45) ALDH1A1TP53KCNH2CRHR1ICMT
SCHEMBL30445710 1.00 ALDH1A1 (0.45) ALDH1A1TP53KCNH2CRHR1ICMT
SCHEMBL30445523 1.00 ALDH1A1 (0.45) ALDH1A1TP53KCNH2CRHR1ICMT
Ammonia Solution, Strong SCHEMBL30445425 0.99 ALDH1A1 (0.44) ALDH1A1TP53KCNH2CRHR1ICMT
Ammonia Solution, Strong SCHEMBL30445848 0.99 ALDH1A1 (0.44) ALDH1A1TP53KCNH2CRHR1ICMT
Ammonia Solution, Strong SCHEMBL30446502 0.99 ALDH1A1 (0.44) ALDH1A1TP53KCNH2CRHR1ICMT
Ammonia Solution, Strong SCHEMBL30445552 0.99 ALDH1A1 (0.44) ALDH1A1TP53KCNH2CRHR1ICMT
Ammonia Solution, Strong SCHEMBL30445407 0.99 ALDH1A1 (0.44) ALDH1A1TP53KCNH2CRHR1ICMT

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-116323707-A Supported catalyst systems and methods of use thereof 埃克森美孚化学专利公司 2023-06-23 CN disclosed