SCHEMBL27010083

SCHEMBL27010083

CC1(O)CN(c2ccc(Br)cc2)C1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 1/20 0.39
TSHR P16473 2/20 0.38
MMP2 P08253 1/20 0.36
MMP13 P45452 1/20 0.36
ADAMTS5 Q9UNA0 1/20 0.36
HSD17B10 Q99714 1/20 0.36
KMT2A Q03164 2/20 0.36
USP2 O75604 1/20 0.36
HDAC4 P56524 1/20 0.35
MAPT P10636 3/20 0.34
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
POLB P06746 1/20 0.34
IGF1R P08069 2/20 0.34
FAAH O00519 1/20 0.33
MGLL Q99685 1/20 0.33
CYP2A6 P11509 1/20 0.33
HTR7 P34969 1/20 0.33
HTR2B P41595 1/20 0.33
TMEM97 Q5BJF2 1/20 0.33

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
SCHEMBL17665098 0.81 ADRB1 (0.45) AKR1C3HSD17B10KMT2AUSP2MAPT
SCHEMBL14862589 0.80 AKR1C3 (0.44) AKR1C3TSHRMMP2MMP13ADAMTS5
SCHEMBL17642585 0.79 AKR1C3 (0.39) AKR1C3HDAC4ALDH1A1FAAHMGLL
SCHEMBL1393084 0.79 MAPT (0.48) HSD17B10KMT2AUSP2HDAC4MAPT
SCHEMBL20457968 0.76 KDM4E (0.50) TSHRHSD17B10KMT2AMAPTMEN1
SCHEMBL17660598 0.76 MEN1 (0.44) TSHRKMT2AMAPTMEN1ALDH1A1
SCHEMBL20956904 0.76 AKR1C3 (0.37) AKR1C3TSHRMMP2MMP13ADAMTS5
SCHEMBL16177759 0.74 AKR1C3 (0.37) AKR1C3TSHRMMP2MMP13HSD17B10
SCHEMBL23199735 0.73 AKR1C3 (0.42) AKR1C3TSHRMMP2MMP13ADAMTS5
SCHEMBL21812427 0.72 GRIN2D (0.45) AKR1C3MAPTALDH1A1

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
EP-4306520-A1 THIOPHENE COMPOUND AND APPLICATION THEREOF Medshine Discovery Inc. (CN) 2024-01-17 EP disclosed