SCHEMBL30450095

SCHEMBL30450095

O=S(=O)(Nc1cc(C(F)(F)F)ccc1Cl)c1ccccc1

nearest known ligand 0.72

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 11/20 0.72
LMNA P02545 3/20 0.57
ALDH1A1 P00352 1/20 0.57
ACLY P53396 1/20 0.55
KDM1A O60341 1/20 0.55
AVPR2 P30518 1/20 0.55
GPR27 Q9NS67 1/20 0.55
POLB P06746 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
CCR1 P32246 1/20 0.54
CCR2 P41597 1/20 0.54
MEN1 O00255 1/20 0.53
GAA P10253 1/20 0.53
KMT2A Q03164 1/20 0.53

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
SCHEMBL15228439 1.00 MCL1 (0.72) MCL1LMNAALDH1A1ACLYKDM1A
SCHEMBL10840713 0.88 MCL1 (0.57) MCL1LMNAALDH1A1ACLYKDM1A
SCHEMBL15228509 0.86 MCL1 (0.70) MCL1LMNAALDH1A1KDM1ASMN1; SMN2
SCHEMBL22441753 0.85 MCL1 (0.66) MCL1LMNAALDH1A1ACLYPOLB
SCHEMBL10801563 0.83 MCL1 (0.63) MCL1CCR2
SCHEMBL1138972 0.82 MEN1 (0.57) MCL1LMNAALDH1A1ACLYKDM1A
SCHEMBL18298893 0.82 LMNA (0.57) MCL1LMNAALDH1A1ACLYKDM1A
SCHEMBL10622385 0.81 MEN1 (0.66) MCL1LMNAACLYCCR1CCR2
SCHEMBL22441699 0.80 MCL1 (0.56) MCL1LMNAALDH1A1ACLYKDM1A
SCHEMBL21865887 0.80 ALDH1A1 (0.55) MCL1LMNAALDH1A1ACLYKDM1A

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-116472063-A Targeted conjugates comprising modified siRNAs 阿布特斯生物制药公司 2023-07-21 CN disclosed