SCHEMBL29951898

SCHEMBL29951898

O=Cc1cc(Br)ccc1OCc1sccc1Br

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 1/20 0.52
PTPN1 P18031 4/20 0.39
PTP4A3 O75365 2/20 0.38
ERN1 O75460 1/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
CYP1A2 P05177 2/20 0.38
CYP3A4 P08684 2/20 0.38
CYP2D6 P10635 2/20 0.38
MAPT P10636 2/20 0.38
CYP2C9 P11712 2/20 0.38
CYP2C19 P33261 2/20 0.38
LMNA P02545 2/20 0.38
ALDH1A1 P00352 2/20 0.38
RECQL P46063 1/20 0.38
TSHR P16473 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
POLB P06746 1/20 0.37
CTDSP1 Q9GZU7 1/20 0.37
TDP1 Q9NUW8 1/20 0.37

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
SCHEMBL2560249 0.86 KDM4E (0.39) PTGDR2ERN1MAPTALDH1A1RECQL
SCHEMBL2556665 0.84 RAB9A (0.45) PTGDR2ERN1NPC1RAB9AMAPT
SCHEMBL29951423 0.83 ALDH1A1 (0.53) PTGDR2MAPTLMNAALDH1A1RECQL
SCHEMBL2556243 0.82 ERN1 (0.42) PTGDR2ERN1NPC1RAB9AMAPT
SCHEMBL30679659 0.81 PTGDR2 (0.52) PTGDR2PTPN1PTP4A3ERN1NPC1
SCHEMBL29951459 0.79 ALDH1A1 (0.44) PTPN1NPC1RAB9AMAPTALDH1A1
SCHEMBL15332130 0.77 PTGDR2 (0.55) PTGDR2PTPN1PTP4A3ERN1NPC1
SCHEMBL2554826 0.76 ALDH1A1 (0.52) ERN1CYP1A2MAPTCYP2C9CYP2C19
SCHEMBL29952525 0.76 ALDH1A1 (0.41) NPC1RAB9ACYP1A2CYP2D6MAPT
SCHEMBL2559995 0.75 ALDH1A1 (0.55) NPC1RAB9AMAPTLMNAALDH1A1

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