SCHEMBL30635827

SCHEMBL30635827

Fc1ccc(-c2c[nH]c(-c3ccc4ccccc4c3)n2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 4/20 0.48
CYP2A6 P11509 1/20 0.48
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
CYP1A1 P04798 1/20 0.44
CYP1B1 Q16678 1/20 0.44
SMN1; SMN2 Q16637 3/20 0.41
ALDH1A1 P00352 2/20 0.41
KDM4E B2RXH2 2/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
AR P10275 2/20 0.41
CYP2C9 P11712 1/20 0.41
HPGD P15428 1/20 0.41
CYP2C19 P33261 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
MAPT P10636 1/20 0.41
NFKB1 P19838 1/20 0.41
GFER P55789 1/20 0.41
NFKB2 Q00653 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
SCHEMBL4855853 0.90 CYP1A1 (0.49) CYP1A2CYP1A1CYP1B1SMN1; SMN2ALDH1A1
SCHEMBL5128314 0.89 CYP1A1 (0.56) CYP1A2MEN1KMT2ACYP1A1CYP1B1
SCHEMBL31305440 0.89 CYP1A1 (0.56) CYP1A2MEN1KMT2ACYP1A1CYP1B1
SCHEMBL27824986 0.84 CYP1A1 (0.50) CYP1A2MEN1KMT2ACYP1A1CYP1B1
SCHEMBL7141855 0.83 KDM4E (0.45) MEN1KMT2ASMN1; SMN2KDM4ENPC1
SCHEMBL26110507 0.83 KDM4E (0.45) MEN1KMT2ASMN1; SMN2KDM4ENPC1
SCHEMBL31305475 0.83 CYP1A1 (0.53) CYP1A2MEN1KMT2ACYP1A1CYP1B1
SCHEMBL2950013 0.83 CYP1A1 (0.53) CYP1A2MEN1KMT2ACYP1A1CYP1B1
SCHEMBL17280243 0.83 CYP1A1 (0.49) CYP1A2MEN1KMT2ACYP1A1CYP1B1
SCHEMBL30635831 0.83 NPC1 (0.45) CYP1A2CYP2A6MEN1KMT2ACYP1A1

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-3500562-B1 SUBSTITUTED AZOLE DERIVATIVES FOR GENERATION, PROLIFERATION AND DIFFERENTIATION OF HEMATOPOIETIC STEM AND PROGENITOR CELLS NAT UNIV SINGAPORE (SG) 2023-11-15 EP claimed
EP-3500562-B1 SUBSTITUTED AZOLE DERIVATIVES FOR GENERATION, PROLIFERATION AND DIFFERENTIATION OF HEMATOPOIETIC STEM AND PROGENITOR CELLS NAT UNIV SINGAPORE (SG) 2023-11-15 EP disclosed