SCHEMBL9330239

SCHEMBL9330239

O=C1CCCCC1c1cncc(Br)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR4 O00206 1/20 0.37
TAS1R3 Q7RTX0 3/20 0.36
TAS1R1 Q7RTX1 3/20 0.36
TAS1R2 Q8TE23 3/20 0.36
ALDH1A1 P00352 3/20 0.35
LMNA P02545 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
NPC1 O15118 1/20 0.35
ALOX12 P18054 1/20 0.35
L3MBTL1 Q9Y468 2/20 0.33
L3MBTL4 Q8NA19 1/20 0.33
L3MBTL3 Q96JM7 1/20 0.33
CHRNB2 P17787 1/20 0.33
CHRNA4 P43681 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
POLB P06746 2/20 0.33
HCAR2 Q8TDS4 1/20 0.33

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
SCHEMBL9328826 0.78 TLR4 (0.42) TLR4KMT2ACA1CA2CA4
SCHEMBL28412030 0.75 POLB (0.47) TLR4ALDH1A1LMNANPC1L3MBTL1
SCHEMBL19993834 0.74 LMNA (0.42) TLR4LMNANPC1MEN1KMT2A
SCHEMBL31014511 0.73 CYP11B2 (0.46) TAS1R3TAS1R1TAS1R2ALDH1A1LMNA
SCHEMBL23595821 0.72 CYP11B2 (0.54) ALDH1A1LMNASMN1; SMN2CHRNB2CHRNA4
SCHEMBL3438226 0.72 CYP11B2 (0.54) ALDH1A1LMNASMN1; SMN2CHRNB2CHRNA4
SCHEMBL4128802 0.72 ATM (0.46) ALDH1A1LMNASMN1; SMN2NPC1L3MBTL1
SCHEMBL9329125 0.71 CYP11B2 (0.57) ALDH1A1LMNASMN1; SMN2CHRNB2CHRNA4
SCHEMBL16196252 0.71 CYP11B2 (0.44) TAS1R3TAS1R1TAS1R2ALDH1A1LMNA
SCHEMBL3438253 0.70 DDB1 (0.50) TLR4ALDH1A1SMN1; SMN2NPC1KMT2A

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-0321274-B1 Derivatives of thioformamide MAY & BAKER LTD (GB) 1994-03-30 EP disclosed
US-5151436-A Compounds for inhibiting hair loss in men RHONE-POULENC SANTE (FR) 1992-09-29 US disclosed
EP-0321274-A1 Derivatives of thioformamide RHONE POULENC RORER LIMITED (GB) 1989-06-21 EP disclosed