SCHEMBL10340591

SCHEMBL10340591

CCOC(=O)c1cnn(-c2ccc(C)cc2)c1C#N

nearest known ligand 0.68

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.68
RAB9A P51151 2/20 0.68
SMN1; SMN2 Q16637 3/20 0.56
TSHR P16473 2/20 0.56
HPGD P15428 1/20 0.54
HTT P42858 2/20 0.54
MAPT P10636 1/20 0.51
KDM4E B2RXH2 3/20 0.49
NPC1 O15118 1/20 0.49
LMNA P02545 1/20 0.49
NPSR1 Q6W5P4 1/20 0.48
MEN1 O00255 1/20 0.47
KMT2A Q03164 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
SCHEMBL6403718 0.90 ALDH1A1 (0.55) ALDH1A1RAB9ASMN1; SMN2TSHRHPGD
SCHEMBL10340707 0.90 ALDH1A1 (0.55) ALDH1A1RAB9ASMN1; SMN2TSHRHPGD
SCHEMBL10340580 0.90 ALDH1A1 (0.55) ALDH1A1RAB9ASMN1; SMN2TSHRHPGD
SCHEMBL10340537 0.90 ALDH1A1 (0.68) ALDH1A1RAB9ASMN1; SMN2TSHRHPGD
SCHEMBL10394633 0.87 ALDH1A1 (0.51) ALDH1A1RAB9ASMN1; SMN2TSHRHPGD
SCHEMBL10340540 0.86 ALDH1A1 (0.51) ALDH1A1RAB9ASMN1; SMN2TSHRHPGD
SCHEMBL10340687 0.85 HTT (0.57) ALDH1A1RAB9ASMN1; SMN2TSHRHPGD
SCHEMBL10340634 0.84 HTT (0.53) ALDH1A1RAB9ASMN1; SMN2TSHRHPGD
SCHEMBL10890676 0.83 RAB9A (0.49) ALDH1A1RAB9ASMN1; SMN2TSHRHTT
SCHEMBL10340547 0.83 HTT (0.52) ALDH1A1RAB9ASMN1; SMN2TSHRHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0177242-B1 POLLEN FORMATION INHIBITING PYRAZOLES ELI LILLY AND COMPANY (US) 1990-01-03 EP disclosed
US-4775409-A PREVENTING POLLEN FORMATION ELI LILLY AND COMPANY (US) 1988-10-04 US disclosed
US-4666504-A HYBRIDS ELI LILLY AND COMPANY (US) 1987-05-19 US disclosed
EP-0177242-A2 Pollen formation inhibiting pyrazoles ELI LILLY AND COMPANY (US) 1986-04-09 EP disclosed