SCHEMBL29951636

SCHEMBL29951636

Cc1cc(C)c2[nH]c(-c3cccc(F)c3)c(C=O)c2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNKS2 Q9H2K2 1/20 0.44
MAPT P10636 2/20 0.41
ALDH1A1 P00352 2/20 0.41
LMNA P02545 2/20 0.41
HPGD P15428 2/20 0.41
KDM4E B2RXH2 1/20 0.41
ABCB1 P08183 1/20 0.38
MGAM O43451 1/20 0.36
GAA P10253 1/20 0.36
SI P14410 1/20 0.36
MGAM2 Q2M2H8 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
CNR1 P21554 2/20 0.35
AR P10275 2/20 0.35
RAPGEF4 Q8WZA2 1/20 0.35
ERN1 O75460 1/20 0.34
TUBB4A P04350 1/20 0.34
TUBB P07437 1/20 0.34
TUBA3C P0DPH7 1/20 0.34
TUBA1B P68363 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
SCHEMBL15331261 0.90 ALDH1A1 (0.41) TNKS2MAPTALDH1A1LMNAHPGD
SCHEMBL29955733 0.88 ABCB1 (0.40) MAPTALDH1A1HPGDKDM4EABCB1
SCHEMBL15332833 0.88 MAPT (0.41) TNKS2MAPTALDH1A1ABCB1MGAM
SCHEMBL15332325 0.87 TNKS2 (0.46) TNKS2MAPTALDH1A1LMNAHPGD
SCHEMBL29954645 0.85 TNKS2 (0.40) TNKS2MAPTALDH1A1ABCB1MGAM
SCHEMBL2556848 0.85 ALOX5 (0.39) MAPTABCB1MGAMGAASI
SCHEMBL15332084 0.83 CNR1 (0.40) TNKS2MAPTALDH1A1LMNASMN1; SMN2
SCHEMBL15329748 0.83 ERN1 (0.40) TNKS2MAPTABCB1MGAMGAA
SCHEMBL2558676 0.82 TNKS2 (0.47) TNKS2MAPTALDH1A1LMNAHPGD
SCHEMBL15330218 0.82 ABCB1 (0.40) TNKS2MAPTALDH1A1ABCB1SMN1; 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
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed