SCHEMBL24809395

SCHEMBL24809395

C=C(C)c1ccc2ncc(Cc3ccccc3)n2c1

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ FYN P06241 8/20 0.37
▸ LMNA P02545 1/20 0.36
▸ GRK5 P34947 1/20 0.36
▸ POLB P06746 2/20 0.36
▸ GPR84 Q9NQS5 1/20 0.34
▸ TGFBR1 P36897 1/20 0.33
▸ CLK1 P49759 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.32
▸ ATM Q13315 1/20 0.32
▸ KDM5A P29375 1/20 0.32
▸ KDM2B Q8NHM5 1/20 0.32
▸ KDM4C Q9H3R0 1/20 0.32
▸ KDM5B Q9UGL1 1/20 0.32
▸ NR1H2 P55055 1/20 0.32
▸ NR1H3 Q13133 1/20 0.32

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
SCHEMBL31530 0.75 ADORA2A (0.49) LMNAALDH1A1
SCHEMBL31538786 0.71 GPR84 (0.57) LMNAGPR84ALDH1A1
Bromide SCHEMBL31538776 0.70 GPR84 (0.56) LMNAGPR84ALDH1A1
SCHEMBL10492823 0.69 LMNA (0.64) LMNAALDH1A1
SCHEMBL26178957 0.64 NR1H4 (0.45) ATM
SCHEMBL13810646 0.62 PRNP (0.36) POLB
SCHEMBL9806339 0.62 HDAC1 (0.50) LMNAALDH1A1
SCHEMBL31744906 0.61 GPR84 (0.49) GPR84ALDH1A1
SCHEMBL23029792 0.61 HDAC8 (0.51) LMNAALDH1A1ATM
SCHEMBL10599649 0.60 KMT2A (0.58) LMNAALDH1A1

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
WO-2022272307-A1 BIFUNCTIONAL FOLATE RECEPTOR BINDING COMPOUNDS LYCIA THERAPEUTICS, INC. (US) 2022-12-29 — — WO disclosed
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