SCHEMBL28634804

SCHEMBL28634804

CCOC(=O)N(n1c(C(C)(C)C)cc2cc(N)c(F)cc21)C(C)(C)C

nearest known ligand 0.32

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.32
▸ NPC1 O15118 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ KCNN4 O15554 1/20 0.31
▸ ALDH1A1 P00352 2/20 0.31
▸ HPGD P15428 2/20 0.31
▸ ALOX15 P16050 1/20 0.31
▸ TSHR P16473 1/20 0.31
▸ HSD17B10 Q99714 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
SCHEMBL2517973 0.69 CFTR (0.36) KDM4ENPC1MAPTRAB9ASMN1; SMN2
SCHEMBL1466632 0.66 DRD2 (0.35) ALDH1A1
SCHEMBL13362359 0.61 CFTR (0.31) —
SCHEMBL5151822 0.59 SMN1; SMN2 (0.41) SMN1; SMN2TSHR
SCHEMBL8281162 0.59 LMNA (0.51) KDM4ENPC1MAPTRAB9ASMN1; SMN2
SCHEMBL2596428 0.58 ALDH1A1 (0.53) KDM4ENPC1MAPTRAB9ASMN1; SMN2
SCHEMBL4272423 0.58 KMT2A (0.41) SMN1; SMN2
SCHEMBL27773868 0.58 MAPT (0.36) KDM4ENPC1MAPTRAB9ASMN1; SMN2
SCHEMBL28141932 0.57 ALOX15 (0.42) MAPTSMN1; SMN2ALDH1A1HPGDALOX15
SCHEMBL21723240 0.57 ALDH1A1 (0.51) KDM4ENPC1MAPTRAB9ASMN1; SMN2

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-105693701-B Modulators of ATP-binding cassette transporters 弗特克斯药品有限公司 2021-08-10 — — CN disclosed
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