SCHEMBL29851110

SCHEMBL29851110

O=C(CC1CCNC1)Nc1ccc2cccnc2c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ P2RY14 Q15391 2/20 0.50
▸ NOTUM Q6P988 1/20 0.49
▸ MEN1 O00255 2/20 0.49
▸ KMT2A Q03164 2/20 0.49
▸ DDB1 Q16531 1/20 0.43
▸ CRBN Q96SW2 1/20 0.43
▸ BAZ1A Q9NRL2 1/20 0.43
▸ TRPV1 Q8NER1 2/20 0.43
▸ GSK3B P49841 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ CYP1A2 P05177 1/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ TSHR P16473 1/20 0.42
▸ HSD17B10 Q99714 1/20 0.42
▸ NPC1 O15118 1/20 0.42
▸ POLB P06746 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ KHK P50053 1/20 0.41
▸ HDAC6 Q9UBN7 2/20 0.41
▸ HDAC3 O15379 1/20 0.41

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
SCHEMBL30631605 0.80 P2RY14 (0.50) P2RY14NOTUMMEN1KMT2ADDB1
SCHEMBL537933 0.76 ULK1 (0.54) MEN1KMT2ADDB1CRBNBAZ1A
SCHEMBL29850847 0.75 EPHX2 (0.63) KMT2ANPC1
SCHEMBL1459680 0.75 CHRNA7 (0.55) P2RY14NOTUMMEN1KMT2ABAZ1A
SCHEMBL4855527 0.74 P2RY14 (0.62) P2RY14NOTUMMEN1KMT2ABAZ1A
SCHEMBL21296709 0.74 P2RY14 (0.62) P2RY14NOTUMMEN1KMT2ABAZ1A
SCHEMBL22860096 0.74 P2RY14 (0.65) P2RY14NOTUMMEN1KMT2ABAZ1A
Hydrochloric Acid SCHEMBL4280960 0.74 CHRNA7 (0.56) P2RY14NOTUMMEN1KMT2ABAZ1A
Hydrochloric Acid SCHEMBL23360201 0.72 DDB1 (0.52) DDB1CRBN
Hydrochloric Acid SCHEMBL23360203 0.72 DDB1 (0.52) DDB1CRBN

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-4291188-A1 INHIBITORS OF CGAS ACTIVITY AS THERAPEUTIC AGENTS Bellbrook Labs, Llc (US) 2023-12-20 — — EP claimed
WO-2022174012-A1 INHIBITORS OF cGAS ACTIVITY AS THERAPEUTIC AGENTS BELLBROOK LABS, LLC (US) 2022-08-18 — — WO claimed
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