SCHEMBL21394729

SCHEMBL21394729

Clc1cccc(Cc2ccnc(NI)c2)c1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 2/20 0.42
PNMT P11086 1/20 0.41
MPO P05164 1/20 0.40
BACE1 P56817 1/20 0.39
HTR3E A5X5Y0 1/20 0.39
HTR3B O95264 1/20 0.39
HTR3A P46098 1/20 0.39
HTR3D Q70Z44 1/20 0.39
HTR3C Q8WXA8 1/20 0.39
IGF1R P08069 1/20 0.39
YTHDF3 Q7Z739 1/20 0.39
YTHDC1 Q96MU7 1/20 0.39
YTHDF1 Q9BYJ9 1/20 0.39
YTHDF2 Q9Y5A9 1/20 0.39
LMNA P02545 1/20 0.39
NR3C2 P08235 3/20 0.38
CHRM2 P08172 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38

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
SCHEMBL21384138 0.80 NR3C2 (0.53) LMNANR3C2MAPT
SCHEMBL21394569 0.76 NOS3 (0.50) TAAR1PNMTMPOBACE1HTR3E
SCHEMBL3300276 0.75 PNMT (0.65) TAAR1PNMTHTR3EHTR3BHTR3A
SCHEMBL1501368 0.74 ALDH1A1 (0.55) TAAR1PNMTHTR3EHTR3BHTR3A
Hydrochloric Acid SCHEMBL21384143 0.74 NOS1 (0.49) TAAR1PNMTMPOBACE1
SCHEMBL29358615 0.73 CCR2 (0.50) IGF1RLMNANR3C2
SCHEMBL21394568 0.73 CCR2 (0.50) IGF1RLMNANR3C2
SCHEMBL10933007 0.70 PNMT (0.46) TAAR1PNMTBACE1HTR3EHTR3B
SCHEMBL3301781 0.69 PNMT (0.58) TAAR1PNMTHTR3EHTR3BHTR3A
SCHEMBL18586524 0.68 MPO (0.55) TAAR1PNMTMPOHTR3EHTR3B

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
WO-2019183587-A1 COMPOUNDS AND USES THEREOF YUMANITY THERAPEUTICS, INC. (US) 2019-09-26 WO disclosed