SCHEMBL8311517

SCHEMBL8311517

CC1CCN(S(=O)(=O)c2ccc3nc(-c4ccncc4)cc(C(=O)Cl)c3c2)CC1

nearest known ligand 0.64

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ RXFP1 Q9HBX9 2/20 0.58
▸ LMNA P02545 4/20 0.57
▸ THRB P10828 1/20 0.57
▸ POLB P06746 1/20 0.55
▸ TSHR P16473 1/20 0.55
▸ ALDH1A1 P00352 2/20 0.54
▸ XBP1 P17861 1/20 0.54
▸ KMT2A Q03164 5/20 0.53
▸ MEN1 O00255 3/20 0.53
▸ HTT P42858 3/20 0.49
▸ KDM4E B2RXH2 2/20 0.47
▸ HPGD P15428 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ TDP1 Q9NUW8 1/20 0.44
▸ MCOLN3 Q8TDD5 1/20 0.44
▸ MAPT P10636 1/20 0.43

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
SCHEMBL8311184 0.92 RXFP1 (0.60) RXFP1LMNATHRBALDH1A1XBP1
SCHEMBL8305683 0.92 RXFP1 (0.60) RXFP1LMNATHRBPOLBTSHR
SCHEMBL8305679 0.90 RXFP1 (0.71) RXFP1LMNATHRBPOLBALDH1A1
SCHEMBL8311182 0.84 RXFP1 (0.61) RXFP1LMNATHRBALDH1A1XBP1
SCHEMBL8303721 0.81 KMT2A (0.50) RXFP1LMNAPOLBTSHRALDH1A1
SCHEMBL8311661 0.80 RXFP1 (0.58) RXFP1LMNATHRBPOLBTSHR
SCHEMBL8308750 0.80 RXFP1 (0.55) RXFP1LMNATHRBPOLBTSHR
SCHEMBL8303958 0.79 ATM (0.58) RXFP1LMNATHRBPOLBKMT2A
SCHEMBL8311188 0.77 KMT2A (0.74) RXFP1LMNATHRBPOLBTSHR
SCHEMBL8305681 0.76 RXFP1 (0.66) RXFP1LMNATHRBPOLBTSHR

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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