SCHEMBL8518595

SCHEMBL8518595

O=C(O)c1cnc(Cl)nc1-c1ccccn1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 1/20 0.45
LMNA P02545 3/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
KDM4E B2RXH2 5/20 0.43
KDM6B O15054 1/20 0.43
KDM4A O75164 1/20 0.43
KDM5C P41229 1/20 0.43
KDM4C Q9H3R0 1/20 0.43
KDM2A Q9Y2K7 1/20 0.43
KDM3A Q9Y4C1 1/20 0.43
TDP1 Q9NUW8 1/20 0.42
KMT2A Q03164 2/20 0.40
PKM P14618 1/20 0.40
CCR1 P32246 2/20 0.40
CCR5 P51681 2/20 0.40
CCR8 P51685 2/20 0.40
PIN1 Q13526 2/20 0.40
XPO1 O14980 1/20 0.40
JUN P05412 1/20 0.40
NFKB1 P19838 1/20 0.40

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
SCHEMBL8396868 0.83 AXL (0.47) KDM4ETDP1KMT2APOLB
SCHEMBL8394975 0.81 JUN (0.55) DHODHLMNASMN1; SMN2KDM4ETDP1
SCHEMBL2353404 0.78 DHODH (0.42) DHODHLMNAKDM4EKDM6BKDM4A
SCHEMBL5189312 0.77 CNR1 (0.48) DHODHKDM4EKMT2APKMXPO1
SCHEMBL9688201 0.76 CCR1 (0.46) LMNASMN1; SMN2KDM4ETDP1PKM
SCHEMBL8518593 0.75 ALDH1A1 (0.49) DHODHLMNASMN1; SMN2KDM4ETDP1
SCHEMBL4540085 0.74 KDM4E (0.54) LMNASMN1; SMN2KDM4ETDP1KMT2A
SCHEMBL8394962 0.74 KDM4E (0.44) DHODHLMNASMN1; SMN2KDM4EKDM6B
SCHEMBL17964400 0.74 ALDH1A1 (0.55) DHODHLMNASMN1; SMN2KDM4EKDM6B
SCHEMBL1539362 0.74 KDM4E (0.44) DHODHLMNASMN1; SMN2KDM4EKDM6B

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
US-5935966-A COMPOUNDS THAT BLOCK THE ACTIVATION OF TRANSCRIPTION FACTORS THROUGH INHIBITION OF A FAMILY OF SPECIFIC KINASES, DECREASING PROINFLAMMATORY PROTEINS TO TREAT AUTOIMMUNE DISEASES AND AS GENERAL ANTIINFLAMMATORY AGENTS SIGNAL PHARMACEUTICALS, INC. (US) 1999-08-10 US disclosed