SCHEMBL8007408

SCHEMBL8007408

O=C(NCC(c1ccccc1)c1ccncc1)Nc1ccccc1Cl

nearest known ligand 0.64

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CASR P41180 1/20 0.64
SMN1; SMN2 Q16637 2/20 0.61
POLB P06746 1/20 0.58
KMT2A Q03164 1/20 0.52
P2RX7 Q99572 5/20 0.52
LMNA P02545 1/20 0.51
KCNQ2 O43526 1/20 0.51
NAMPT P43490 1/20 0.50
HTT P42858 2/20 0.48
ROCK2 O75116 1/20 0.47
ROCK1 Q13464 1/20 0.47
KDM4E B2RXH2 1/20 0.47

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
Hydrochloric Acid SCHEMBL7995663 0.99 CASR (0.62) CASRSMN1; SMN2POLBKMT2AP2RX7
SCHEMBL444179 0.92 CASR (0.74) CASRSMN1; SMN2POLBKMT2AP2RX7
SCHEMBL8007374 0.89 CASR (0.60) CASRSMN1; SMN2POLBKMT2AP2RX7
SCHEMBL8006125 0.84 CASR (0.60) CASRSMN1; SMN2POLBKMT2AKCNQ2
Hydrochloric Acid SCHEMBL7995646 0.83 CASR (0.58) CASRSMN1; SMN2POLBKMT2AKCNQ2
SCHEMBL11616990 0.81 POLB (0.61) CASRSMN1; SMN2POLBKMT2ALMNA
SCHEMBL2433439 0.78 CASR (1.00) CASRSMN1; SMN2LMNAKCNQ2HTT
SCHEMBL11615520 0.78 NAMPT (0.75) SMN1; SMN2POLBKMT2ANAMPTHTT
SCHEMBL16150572 0.75 CASR (0.67) CASRSMN1; SMN2POLBKMT2AKCNQ2
SCHEMBL17512861 0.75 CASR (0.67) CASRSMN1; SMN2POLBKMT2AKCNQ2

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
US-6060484-A Anti-viral method ELI LILLY AND COMPANY (US) 2000-05-09 US disclosed
EP-0806205-A2 Urea, thiourea and guanidine compounds and their use as anti-viral agents ELI LILLY AND COMPANY (US) 1997-11-12 EP disclosed