SCHEMBL18540754

SCHEMBL18540754

CC[N+](CC)=c1ccc2c(-c3ccccc3C(=O)N3CCNCC3)c3ccc(C)cc3oc-2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TGM2 P21980 1/20 0.48
▸ NPY4R P50391 3/20 0.39
▸ KMT2A Q03164 3/20 0.39
▸ USP2 O75604 2/20 0.39
▸ RXFP1 Q9HBX9 2/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ POLB P06746 2/20 0.39
▸ PPARG P37231 1/20 0.39
▸ BLM P54132 1/20 0.39
▸ NCOR2 Q9Y618 1/20 0.39
▸ CHRM1 P11229 1/20 0.38
▸ FPR2 P25090 4/20 0.38
▸ ABCB1 P08183 1/20 0.37
▸ AVPR2 P30518 2/20 0.36
▸ CFTR P13569 1/20 0.36
▸ PAX8 Q06710 1/20 0.36
▸ ATM Q13315 1/20 0.36
▸ GOPC Q9HD26 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.35
▸ LMNA P02545 1/20 0.34

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
SCHEMBL12119403 0.89 TGM2 (0.61) TGM2NPY4RKMT2AUSP2RXFP1
Hydrochloric Acid SCHEMBL13737398 0.88 TGM2 (0.60) TGM2NPY4RKMT2AUSP2RXFP1
SCHEMBL12763951 0.84 POLB (0.50) TGM2KMT2AUSP2RXFP1MEN1
SCHEMBL12763953 0.83 MEN1 (0.44) TGM2KMT2AUSP2RXFP1MEN1
SCHEMBL22636637 0.81 TGM2 (0.43) TGM2KMT2AUSP2RXFP1MEN1
SCHEMBL18087519 0.80 TGM2 (0.62) TGM2NPY4RKMT2AUSP2RXFP1
SCHEMBL17399553 0.78 TGM2 (0.65) TGM2NPY4RKMT2AUSP2RXFP1
SCHEMBL12763952 0.78 MEN1 (0.44) TGM2NPY4RKMT2AUSP2RXFP1
SCHEMBL9290111 0.78 ABCB1 (0.46) TGM2KMT2AUSP2RXFP1MEN1
SCHEMBL12870952 0.77 TGM2 (0.60) TGM2NPY4RKMT2AUSP2RXFP1

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
US-20170051149-A1 AZOARYLS AS REVERSIBLY MODULATABLE TUBULIN INHIBITORS ECOLE NORMALE SUPERIEURE DE LYON (FR) 2017-02-23 — — US disclosed
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