SCHEMBL8308750

SCHEMBL8308750

CC1CCN(S(=O)(=O)c2ccc3nc(-c4ccncc4)cc(C(=O)Nc4cccc(C(F)(F)F)c4)c3c2)CC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RXFP1 Q9HBX9 2/20 0.55
▸ MAPT P10636 5/20 0.55
▸ TP53 P04637 1/20 0.55
▸ LMNA P02545 4/20 0.55
▸ THRB P10828 1/20 0.55
▸ ALDH1A1 P00352 2/20 0.52
▸ XBP1 P17861 1/20 0.52
▸ KMT2A Q03164 3/20 0.51
▸ POLB P06746 2/20 0.51
▸ MEN1 O00255 1/20 0.51
▸ TSHR P16473 1/20 0.51
▸ CA12 O43570 2/20 0.49
▸ CA1 P00915 2/20 0.49
▸ CA2 P00918 2/20 0.49
▸ CA9 Q16790 2/20 0.49
▸ HTT P42858 2/20 0.48
▸ PKM P14618 2/20 0.47
▸ KDM4E B2RXH2 2/20 0.47
▸ HPGD P15428 2/20 0.47
▸ USP2 O75604 1/20 0.47

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
SCHEMBL8305683 0.81 RXFP1 (0.60) RXFP1LMNATHRBALDH1A1XBP1
SCHEMBL8311517 0.80 RXFP1 (0.58) RXFP1MAPTLMNATHRBALDH1A1
SCHEMBL8311182 0.76 RXFP1 (0.61) RXFP1LMNATHRBALDH1A1XBP1
SCHEMBL8311184 0.74 RXFP1 (0.60) RXFP1MAPTTP53LMNATHRB
SCHEMBL8305679 0.72 RXFP1 (0.71) RXFP1MAPTLMNATHRBALDH1A1
SCHEMBL8311661 0.72 RXFP1 (0.58) RXFP1LMNATHRBALDH1A1XBP1
SCHEMBL8308067 0.72 KMT2A (0.78) RXFP1MAPTLMNATHRBALDH1A1
SCHEMBL8303958 0.71 ATM (0.58) RXFP1LMNATHRBKMT2APOLB
SCHEMBL8304067 0.71 LMNA (0.78) RXFP1MAPTLMNATHRBALDH1A1
SCHEMBL8308248 0.71 RXFP1 (0.75) RXFP1MAPTTP53LMNATHRB

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-2004078731-A1 QUINOLINE-CARBOXYLIC ACIDS AND THE DERIVATIVES THEREOF, A FOCUSED LIBRARY 'CHEMICAL DIVERSITY RESEARCH INSTITUTE', LTD. (RU) 2004-09-16 — — WO disclosed
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