SCHEMBL9869391

SCHEMBL9869391

CCCCC=NCCCCC

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.38
ALDH1A1 P00352 3/20 0.38
NAAA Q02083 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
THRB P10828 2/20 0.35
DNM1 Q05193 3/20 0.33
KDM4E B2RXH2 1/20 0.32
CYP1A2 P05177 1/20 0.32
MAPT P10636 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
FAAH O00519 2/20 0.31
TRPV1 Q8NER1 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
SCHEMBL18489537 0.97 TSHR (0.40) TSHRALDH1A1NAAAMEN1KMT2A
SCHEMBL24754282 0.97 TSHR (0.40) TSHRALDH1A1NAAAMEN1KMT2A
SCHEMBL21757397 0.97 TSHR (0.40) TSHRALDH1A1NAAAMEN1KMT2A
SCHEMBL28270480 0.95 TSHR (0.38) TSHRALDH1A1NAAAMEN1KMT2A
SCHEMBL11760319 0.92 TSHR (0.44) TSHRNAAAMEN1KMT2ATHRB
SCHEMBL24864672 0.92 TSHR (0.44) TSHRNAAAMEN1KMT2ATHRB
SCHEMBL2887421 0.92 TSHR (0.44) TSHRNAAAMEN1KMT2ATHRB
SCHEMBL11760325 0.92 TSHR (0.44) TSHRNAAAMEN1KMT2ATHRB
SCHEMBL11760910 0.92 TSHR (0.44) TSHRNAAAMEN1KMT2ATHRB
SCHEMBL24183668 0.92 TSHR (0.44) TSHRNAAAMEN1KMT2ATHRB

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-5017709-A Cyclization of perfluoroimine AUSIMONT S.R.L. (IT) 1991-05-21 US disclosed