Isopropylamine

Isopropylamine

SCHEMBL28680220

CC(C)N.CC(C)OC(=O)C(Cl)(Cl)Cl

nearest known ligand 0.40

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
TSHR P16473 2/20 0.40
USP2 O75604 1/20 0.33
ABCB11 O95342 1/20 0.33
LMNA P02545 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
ADORA3 P0DMS8 1/20 0.33
MAPT P10636 1/20 0.33
CYP2C9 P11712 1/20 0.33
ADRB3 P13945 1/20 0.33
HPGD P15428 1/20 0.33
CNR1 P21554 1/20 0.33
ACHE P22303 1/20 0.33
SLC6A2 P23975 1/20 0.33
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
MAPK1 P28482 1/20 0.33
CYP2C19 P33261 1/20 0.33

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
Trichloroacetic Acid SCHEMBL28670920 0.94 TSHR (0.42) MEN1KMT2ATSHRUSP2ABCB11
Trichloroacetic Acid SCHEMBL28665553 0.94 TSHR (0.42) MEN1KMT2ATSHRUSP2ABCB11
SCHEMBL1707076 0.93 TSHR (0.46) MEN1KMT2ATSHRUSP2ABCB11
Trichloroacetic Acid SCHEMBL28676685 0.82 ALDH1A1 (0.32) MEN1KMT2ATSHR
SCHEMBL9243012 0.77 TSHR (0.46) MEN1KMT2ATSHRUSP2ABCB11
SCHEMBL9412783 0.75 TSHR (0.43) MEN1KMT2ATSHRUSP2ABCB11
SCHEMBL7655973 0.73 TSHR (0.42) MEN1KMT2ATSHRUSP2ABCB11
Ammonia Solution, Strong SCHEMBL624387 0.71 MEN1 (0.40) MEN1KMT2ATSHRUSP2ABCB11
SCHEMBL5244967 0.71 MEN1 (0.40) MEN1KMT2ATSHRUSP2ABCB11
Trichloroacetic Acid SCHEMBL28668260 0.71 ALDH1A1 (0.62) TSHRCYP1A2MAPTCYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113950245-A Herbicidal composition 石原产业株式会社 2022-01-18 CN disclosed
CN-113873887-A Herbicidal composition 石原产业株式会社 2021-12-31 CN disclosed