SCHEMBL29622706

SCHEMBL29622706

Nc1ccc(I)cc1C(=O)O

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.63
KMT2A Q03164 4/20 0.63
GFER P55789 1/20 0.63
RXFP1 Q9HBX9 1/20 0.63
TDP1 Q9NUW8 4/20 0.61
MAPT P10636 4/20 0.61
MEN1 O00255 3/20 0.61
THRB P10828 3/20 0.61
MCL1 Q07820 2/20 0.61
RECQL P46063 2/20 0.61
USP2 O75604 1/20 0.61
POLB P06746 1/20 0.61
PKM P14618 1/20 0.61
APEX1 P27695 1/20 0.61
BLM P54132 1/20 0.61
GLA P06280 1/20 0.59
KEAP1 Q14145 1/20 0.59
ALDH1A1 P00352 6/20 0.57
CDC25B P30305 1/20 0.57
CASP6 P55212 1/20 0.57

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
SCHEMBL27682200 1.00 KDM4E (0.63) KDM4EKMT2AGFERRXFP1TDP1
SCHEMBL145394 1.00 KDM4E (0.63) KDM4EKMT2AGFERRXFP1TDP1
Ammonia Solution, Strong SCHEMBL2316519 0.98 KDM4E (0.61) KDM4EKMT2AGFERRXFP1TDP1
SCHEMBL688910 0.83 IKBKB (0.53) KDM4EKMT2AGFERRXFP1TDP1
SCHEMBL164836 0.83 ALDH1A1 (0.53) KDM4EKMT2AGFERRXFP1TDP1
SCHEMBL9117926 0.81 KDM4E (0.44) KDM4EKMT2AGFERRXFP1TDP1
SCHEMBL2327264 0.81 KDM4E (0.41) KDM4EKMT2AGFERRXFP1TDP1
SCHEMBL29980197 0.80 MAPT (0.64) KDM4EKMT2ATDP1MAPTMEN1
SCHEMBL1877051 0.80 MAPT (0.64) KDM4EKMT2ATDP1MAPTMEN1
SCHEMBL522679 0.79 PTPN1 (0.55) KDM4EKMT2ATDP1MAPTMEN1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4021504-A1 THERAPY Vestlandets Innovasjonsselskap AS (NO) 2022-07-06 EP disclosed
EP-4013440-A1 THERAPEUTIC PEPTIDES Cohbar Inc. (US) 2022-06-22 EP disclosed