SCHEMBL25223165

SCHEMBL25223165

CCCCCCCCCCN(CCCC)c1ccccc1C

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.55
TP53 P04637 1/20 0.55
KCNH2 Q12809 7/20 0.41
ELANE P08246 1/20 0.38
CRHR1 P34998 3/20 0.37
NPC1 O15118 1/20 0.37
JAK2 O60674 1/20 0.37
RAB9A P51151 1/20 0.37
PAX8 Q06710 1/20 0.37
P2RX7 Q99572 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
ICMT O60725 1/20 0.36
ALB P02768 1/20 0.36
DNM1 Q05193 1/20 0.35

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
SCHEMBL25276793 1.00 ALDH1A1 (0.55) ALDH1A1TP53KCNH2ELANECRHR1
SCHEMBL25270443 1.00 ALDH1A1 (0.55) ALDH1A1TP53KCNH2ELANECRHR1
SCHEMBL25223117 1.00 ALDH1A1 (0.55) ALDH1A1TP53KCNH2ELANECRHR1
SCHEMBL25278338 1.00 ALDH1A1 (0.55) ALDH1A1TP53KCNH2ELANECRHR1
SCHEMBL25271939 0.98 ALDH1A1 (0.56) ALDH1A1TP53KCNH2ELANECRHR1
SCHEMBL25228469 0.98 ALDH1A1 (0.56) ALDH1A1TP53KCNH2ELANECRHR1
SCHEMBL25272496 0.98 ALDH1A1 (0.56) ALDH1A1TP53KCNH2ELANECRHR1
SCHEMBL25225237 0.98 ALDH1A1 (0.56) ALDH1A1TP53KCNH2ELANECRHR1
SCHEMBL25222353 0.98 ALDH1A1 (0.56) ALDH1A1TP53KCNH2ELANECRHR1
SCHEMBL25270947 0.98 ALDH1A1 (0.56) ALDH1A1TP53KCNH2ELANECRHR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4446310-A1 METHOD FOR PRODUCING BLOCKED ISOCYANATE COMPOUND AND METHOD FOR PRODUCING ISOCYANATE COMPOUND Asahi Kasei Kabushiki Kaisha (JP) 2024-10-16 EP disclosed
CN-118382612-A Method for producing blocked isocyanate compound and method for producing isocyanate compound 旭化成株式会社 2024-07-23 CN disclosed
WO-2023106377-A1 METHOD FOR PRODUCING BLOCKED ISOCYANATE COMPOUND AND METHOD FOR PRODUCING ISOCYANATE COMPOUND 旭化成株式会社 2023-06-15 WO disclosed