SCHEMBL30894752

SCHEMBL30894752

Cc1ccc2c(CN3CCOCC3)ccc(O)c2n1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 3/20 0.51
HSD17B10 Q99714 2/20 0.51
CYP2C9 P11712 1/20 0.51
KDM4E B2RXH2 6/20 0.49
ALDH1A1 P00352 4/20 0.49
MAPT P10636 5/20 0.48
KMT2A Q03164 4/20 0.48
GAA P10253 3/20 0.48
LMNA P02545 2/20 0.48
TDP1 Q9NUW8 2/20 0.48
OPRK1 P41145 1/20 0.48
CYP1A2 P05177 1/20 0.47
L3MBTL1 Q9Y468 3/20 0.47
TP53 P04637 2/20 0.47
NFKB1 P19838 2/20 0.47
NFKB2 Q00653 2/20 0.47
RELA Q04206 2/20 0.47
BRD4 O60885 1/20 0.47
ALOX12 P18054 1/20 0.47
POLB P06746 1/20 0.45

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
SCHEMBL27253849 1.00 ALOX15 (0.51) ALOX15HSD17B10CYP2C9KDM4EALDH1A1
SCHEMBL27253851 0.82 KMT2A (0.46) ALOX15KDM4EALDH1A1MAPTKMT2A
SCHEMBL27253852 0.81 KDM4E (0.54) ALOX15KDM4EALDH1A1MAPTKMT2A
SCHEMBL27253850 0.80 L3MBTL1 (0.48) ALOX15HSD17B10CYP2C9KDM4EALDH1A1
SCHEMBL12530911 0.80 HSD17B10 (0.60) ALOX15HSD17B10CYP2C9KDM4EALDH1A1
SCHEMBL5594626 0.78 KDM4E (0.75) ALOX15KDM4EALDH1A1MAPTKMT2A
SCHEMBL18209437 0.74 CYP2C9 (0.64) ALOX15HSD17B10CYP2C9KDM4EALDH1A1
SCHEMBL2525228 0.72 KMT2A (0.61) ALOX15HSD17B10KDM4EALDH1A1MAPT
Hydrochloric Acid SCHEMBL30894755 0.71 KMT2A (0.59) ALOX15HSD17B10KDM4EALDH1A1MAPT
Hydrochloric Acid SCHEMBL11130882 0.71 KMT2A (0.59) ALOX15HSD17B10KDM4EALDH1A1MAPT

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-4622962-A1 SMALL MOLECULAR WEIGHT CHEMICAL COMPOUND TO ANTAGONIZE EPH-EPHRIN TETRAMERIZATION AND INHIBIT BIDIRECTIONAL SIGNALING The Board of Regents of the University of Texas System (US) 2025-10-01 EP disclosed
WO-2024092083-A1 SMALL MOLECULAR WEIGHT CHEMICAL COMPOUND TO ANTAGONIZE EPH-EPHRIN TETRAMERIZATION AND INHIBIT BIDIRECTIONAL SIGNALING THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2024-05-02 WO disclosed