SCHEMBL25053497

SCHEMBL25053497

C=C[C@@]1(O)CCN[C@H](c2ccccc2)C1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.38
▸ TRPA1 O75762 1/20 0.33
▸ PRCP P42785 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ NPSR1 Q6W5P4 2/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ RECQL P46063 1/20 0.32
▸ USP2 O75604 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ TP53 P04637 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ ALOX12 P18054 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ KDM1A O60341 6/20 0.32
▸ MAOB P27338 6/20 0.32
▸ OPRD1 P41143 1/20 0.32
▸ TACR1 P25103 1/20 0.31

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
SCHEMBL27479680 0.76 TSHR (0.37) TSHRTRPA1PRCPNPSR1USP2
SCHEMBL8535706 0.76 TRPA1 (0.50) TSHRTRPA1PRCPNPSR1MAPK1
SCHEMBL26984276 0.76 TRPA1 (0.50) TSHRTRPA1PRCPNPSR1MAPK1
SCHEMBL2706482 0.76 TRPA1 (0.50) TSHRTRPA1PRCPNPSR1MAPK1
SCHEMBL2705811 0.76 TRPA1 (0.50) TSHRTRPA1PRCPNPSR1MAPK1
SCHEMBL20449165 0.75 KDM1A (0.41) TSHRTRPA1PRCPALDH1A1KDM1A
SCHEMBL13627524 0.75 KDM1A (0.41) TSHRTRPA1PRCPALDH1A1KDM1A
Hydrochloric Acid SCHEMBL27077286 0.74 TRPA1 (0.49) TSHRTRPA1PRCPNPSR1MAPK1
SCHEMBL3402260 0.73 KDM1A (0.40) TSHRPRCPMEN1KMT2AKDM1A
SCHEMBL20528510 0.73 KDM1A (0.40) TSHRPRCPMEN1KMT2AKDM1A

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-2022200523-A9 PHARMACEUTICAL COMPOUNDS AS INHIBITORS OF UBIQUITIN SPECIFIC PROTEASE 19 (USP19) ALMAC DISCOVERY LIMITED (GB) 2023-02-16 — — WO disclosed
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