SCHEMBL28933481

SCHEMBL28933481

CC(O)[CH]c1c[nH]c2ccc(F)cc12

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CAPN1 P07384 1/20 0.52
▸ CAPN2 P17655 1/20 0.52
▸ KMT2A Q03164 2/20 0.50
▸ MEN1 O00255 1/20 0.50
▸ NPC1 O15118 1/20 0.50
▸ USP2 O75604 1/20 0.50
▸ RAB9A P51151 1/20 0.50
▸ HTR2A P28223 3/20 0.49
▸ HTR2C P28335 1/20 0.49
▸ GPR84 Q9NQS5 2/20 0.46
▸ MPO P05164 6/20 0.46
▸ TSHR P16473 1/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ TDO2 P48775 1/20 0.42
▸ TRPM8 Q7Z2W7 1/20 0.42
▸ SLC6A4 P31645 1/20 0.41
▸ HTR1A P08908 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
SCHEMBL3741787 0.78 KMT2A (0.56) CAPN1CAPN2KMT2AMEN1NPC1
SCHEMBL13957453 0.76 CAPN1 (0.56) CAPN1CAPN2KMT2AMEN1NPC1
SCHEMBL9651541 0.76 HTR2A (0.53) KMT2AMEN1HTR2AHTR2CGPR84
SCHEMBL27640766 0.76 MPO (0.56) CAPN1CAPN2KMT2AMEN1NPC1
SCHEMBL21665304 0.75 CAPN1 (0.59) CAPN1CAPN2KMT2AMEN1NPC1
SCHEMBL28701110 0.75 CAPN1 (0.59) CAPN1CAPN2KMT2AMEN1NPC1
SCHEMBL208051 0.75 CAPN1 (0.59) CAPN1CAPN2KMT2AMEN1NPC1
SCHEMBL29935857 0.75 CAPN1 (0.59) CAPN1CAPN2KMT2AMEN1NPC1
SCHEMBL3688403 0.74 HPGD (0.60) CAPN1CAPN2KMT2AMEN1NPC1
SCHEMBL3688400 0.74 HPGD (0.60) CAPN1CAPN2KMT2AMEN1NPC1

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
CN-108329311-B Tricyclic compound as selective estrogen receptor down-regulator and application thereof 南京圣和药业股份有限公司 2022-02-22 — — CN disclosed
Send feedback