SCHEMBL29952289

SCHEMBL29952289

COc1ccc(CSC2CCCCC2)cc1B(O)O

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.49
QRFPR Q96P65 15/20 0.46
POLB P06746 2/20 0.40
ALDH1A1 P00352 2/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
MDM2 Q00987 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NR3C1 P04150 1/20 0.38

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
SCHEMBL29955087 0.87 PARP14 (0.41) KMT2AQRFPRALDH1A1SMN1; SMN2
SCHEMBL29955155 0.77 QRFPR (0.54) KMT2AQRFPRPOLBALDH1A1NPC1
SCHEMBL29951099 0.77 DRD4 (0.46) KMT2AQRFPRSMN1; SMN2
SCHEMBL31063056 0.74 CA1 (0.44) KMT2AALDH1A1RAB9ASMN1; SMN2
SCHEMBL7833142 0.73 KMT2A (0.55) KMT2AALDH1A1NPC1RAB9AMDM2
SCHEMBL29957054 0.73 ALDH1A1 (0.51) KMT2APOLBALDH1A1
SCHEMBL29951416 0.72 DRD4 (0.47) QRFPRNPC1RAB9A
SCHEMBL29956962 0.71 GAA (0.59) KMT2APOLB
SCHEMBL29955567 0.71 KMT2A (0.57) KMT2AQRFPR
SCHEMBL2463490 0.71 ENPP2 (0.48) POLBNPC1RAB9A

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