SCHEMBL9750089

SCHEMBL9750089

C=C1N(CC)c2ccc(Cc3ccccc3)cc2C1(C)C

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RXRA P19793 1/20 0.35
RXRB P28702 1/20 0.35
RXRG P48443 1/20 0.35
PDK2 Q15119 1/20 0.35
IDH1 O75874 1/20 0.35
CYP26A1 O43174 1/20 0.34
CYP26B1 Q9NR63 1/20 0.34
ELANE P08246 1/20 0.33
CALM1 P0DP23 1/20 0.33
TACR1 P25103 1/20 0.33
TACR3 P29371 1/20 0.33
P2RX1 P51575 1/20 0.33
P2RX3 P56373 1/20 0.33
P2RX4 Q99571 1/20 0.33
P2RX7 Q99572 1/20 0.33
LTA4H P09960 1/20 0.33
PGR P06401 1/20 0.32
HNF4A P41235 1/20 0.31
LMNA P02545 1/20 0.31

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
SCHEMBL9750159 0.83 MPI (0.38) RXRARXRBRXRGPDK2IDH1
SCHEMBL9750285 0.79 HRH3 (0.43) PDK2
SCHEMBL6091601 0.77 KMT2A (0.46) P2RX1P2RX3P2RX4P2RX7LMNA
SCHEMBL9750249 0.76 KMT2A (0.39) PGRLMNA
SCHEMBL9750408 0.75 KCNK2 (0.45) PGRLMNA
SCHEMBL11503557 0.74 MPI (0.38) RXRARXRBRXRGPDK2IDH1
SCHEMBL11778009 0.74 MPI (0.42) RXRARXRBRXRGCYP26A1CYP26B1
SCHEMBL30242144 0.73 PTGDR2 (0.47) ELANEP2RX1P2RX3P2RX4P2RX7
SCHEMBL28980135 0.73 PTGDR2 (0.47) ELANEP2RX1P2RX3P2RX4P2RX7
SCHEMBL4615673 0.72 ALDH1A1 (0.45) LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5120858-A Condensation of 2-methyleneindoline and formic acid in acetic anhydride MILES INC. (US) 1992-06-09 US disclosed
EP-0058863-B1 PROCESS FOR THE PREPARATION OF TRIMETHINE DYESTUFFS BAYER AG (DE) 1985-01-23 EP disclosed
US-4419511-A Process for the preparation of trimethine dyestuffs BAYER AKTIENGESELLSCHAFT (US) 1983-12-06 US disclosed
EP-0058863-A1 Process for the preparation of trimethine dyestuffs BAYER AG (DE) 1982-09-01 EP disclosed
US-4201707-A Methine dyestuffs containing a phenyl azo group BAYER AKTIENGESELLSCHAFT (DE) 1980-05-06 US disclosed
US-4143228-A RED SHADES BAYER AKTIENGESELLSCHAFT (DE) 1979-03-06 US disclosed
US-4138570-A METHINE DYE BAYER AKTIENGESELLSCHAFT (DE) 1979-02-06 US disclosed