SCHEMBL29196142

SCHEMBL29196142

CCCCCCCCCCCCCCCCCCNC/C=C/c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.54
SIGMAR1 Q99720 1/20 0.49
PRMT1 Q99873 1/20 0.46
RAB9A P51151 1/20 0.46
KDM1A O60341 1/20 0.44
HDAC3 O15379 1/20 0.43
EPHX1 P07099 3/20 0.43
HTT P42858 2/20 0.43
ALDH1A1 P00352 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
TUBB4A P04350 2/20 0.42
TUBB P07437 2/20 0.42
TUBA3C P0DPH7 2/20 0.42
TUBA1B P68363 2/20 0.42
TUBA4A P68366 2/20 0.42
TUBB4B P68371 2/20 0.42
TUBB3 Q13509 2/20 0.42
TUBB2A Q13885 2/20 0.42
TUBB8 Q3ZCM7 2/20 0.42
TUBA3E Q6PEY2 2/20 0.42

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
SCHEMBL6668098 1.00 EGFR (0.54) EGFRSIGMAR1PRMT1RAB9AKDM1A
SCHEMBL29196143 1.00 EGFR (0.54) EGFRSIGMAR1PRMT1RAB9AKDM1A
SCHEMBL9779076 1.00 EGFR (0.54) EGFRSIGMAR1PRMT1RAB9AKDM1A
SCHEMBL10626637 1.00 EGFR (0.54) EGFRSIGMAR1PRMT1RAB9AKDM1A
Ammonia Solution, Strong SCHEMBL18037670 0.98 EGFR (0.52) EGFRSIGMAR1PRMT1RAB9AKDM1A
Hydrochloric Acid SCHEMBL8663857 0.98 EGFR (0.52) EGFRSIGMAR1PRMT1RAB9AKDM1A
SCHEMBL11033807 0.98 EGFR (0.51) EGFRSIGMAR1PRMT1RAB9AKDM1A
SCHEMBL3305137 0.93 HDAC3 (0.49) EGFRSIGMAR1PRMT1RAB9AHDAC3
SCHEMBL3305133 0.93 HDAC3 (0.49) EGFRSIGMAR1PRMT1RAB9AHDAC3
Acetic Acid SCHEMBL28444975 0.93 EGFR (0.58) EGFRPRMT1HDAC3EPHX1HTT

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-116270462-A Skin antibacterial repair emulsion and preparation method thereof 临沂大学 2023-06-23 CN disclosed