SCHEMBL29952495

SCHEMBL29952495

O=Cc1ccnc2c1OCO2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 1/20 0.41
CCR5 P51681 1/20 0.41
CCR8 P51685 1/20 0.41
TRIM24 O15164 1/20 0.36
TRIM33 Q9UPN9 1/20 0.36
LMNA P02545 3/20 0.33
TDP1 Q9NUW8 3/20 0.33
KMT2A Q03164 2/20 0.33
MEN1 O00255 1/20 0.33
THRB P10828 1/20 0.33
BLM P54132 1/20 0.33
ACVRL1 P37023 2/20 0.32
BMPR1B O00238 1/20 0.32
BMPR1A P36894 1/20 0.32
ACVR1B P36896 1/20 0.32
TGFBR1 P36897 1/20 0.32
ACVR1 Q04771 1/20 0.32
ALDH1A1 P00352 3/20 0.32
MAPT P10636 1/20 0.32
HPGD P15428 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
SCHEMBL22516999 1.00 CCR1 (0.41) CCR1CCR5CCR8TRIM24TRIM33
SCHEMBL6852501 0.75 TDP1 (0.46) TRIM24TRIM33LMNATDP1KMT2A
SCHEMBL25354311 0.74 CCR1 (0.35) CCR1CCR5CCR8TRIM24TRIM33
SCHEMBL30453860 0.74 CCR1 (0.35) CCR1CCR5CCR8TRIM24TRIM33
SCHEMBL13399609 0.72 ACVRL1 (0.33) ACVRL1BMPR1BBMPR1AACVR1BTGFBR1
SCHEMBL3201059 0.71 NCF1 (0.32) ACVRL1BMPR1BBMPR1AACVR1BTGFBR1
SCHEMBL4820283 0.71 BMPR1B (0.32) ACVRL1BMPR1BBMPR1AACVR1BTGFBR1
SCHEMBL7704567 0.71 PRKCI (0.34) ACVRL1BMPR1BBMPR1AACVR1BTGFBR1
SCHEMBL13382187 0.70 ACVRL1 (0.32) ACVRL1
SCHEMBL3194003 0.69 KDM4E (0.41) LMNATDP1KMT2AMEN1THRB

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4695236-A1 SUBSTITUTED PHENYL-PIPERAZINYL BASED MODULATORS FOR THE TREATMENT OF DISEASE Soley Therapeutics, Inc. (US) 2026-02-18 EP disclosed
WO-2024216094-A1 SUBSTITUTED PHENYL-PIPERAZINYL BASED MODULATORS FOR THE TREATMENT OF DISEASE SOLEY THERAPEUTICS, INC. (US) 2024-10-17 WO disclosed
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed